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Research chemical

2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl-

CAS Number: 100060-89-7

Chemical structure
2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl- molecular structure, CAS 100060-89-7

Product details

Identity & specification

Molecular formula
C11H12N2O3
Molecular weight
220.22 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

540157

Exact Mass

220.084792

InChIKey

YZVTZMKFPYZHSA-UHFFFAOYSA-N

IUPAC Name

5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

SMILES String

CC(=O)C1=C(C)NC(=O)NC1c1ccco1

Physical Properties

No physical property values available.

Show more physical data

XLogP

-0.1

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

16

H-bond acceptors

5

H-bond donors

2

Rotatable bonds

2

Ring count

2

Aromatic rings

1

Topological polar surface area

71.34 Ų

Computed LogP

1.5

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl- (CAS 100060-89-7) is an English MolGraph catalog reference, molecular formula C11H12N2O3 and molecular weight 220. 22 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, synthetic chemistry workflows, bioactivity screening workflows, research chemical sourcing.

Documentation needs

Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.

Applications & Classification

Bioactivity ScreeningSynthetic ChemistryHeterocyclic Building BlocksResearch Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Adenosine receptor A1 (Homo sapiens) — 2 assays; Adenosine receptor A2a (Homo sapiens) — 2 assays; Adenosine receptor A2b (Homo sapiens) — 2 assays; Adenosine receptor A3 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Adenosine receptor A1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Adenosine receptor A2a

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Adenosine receptor A2b

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Adenosine receptor A3

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarityEthyl 8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylateView related compound →Structure similarity1-(4-Nitrophenyl)piperidin-2-oneView related compound →Structure similarity2-(4-(2-Oxoimidazolidin-1-yl)phenyl)acetic acidView related compound →Structure similarityMethyl 2-ethoxy-1H-benzimidazole-4-carboxylateView related compound →Structure similarityethyl 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylateView related compound →

Procurement questions

What are the key identifiers for 2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl- (CAS 100060-89-7)?

2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl- is identified by CAS 100060-89-7, with molecular formula C11H12N2O3, molecular weight 220.22, InChIKey YZVTZMKFPYZHSA-UHFFFAOYSA-N.

Does CAS 100060-89-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 100060-89-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl-?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 100060-89-7 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.