Research chemical
CAS Number: 108831-72-7
![N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine molecular structure, CAS 108831-72-7](/structure-images/108831-72-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2077531
Exact Mass
259.077933
InChIKey
WDUFZXPIPXTHOB-UHFFFAOYSA-N
SMILES String
Cc1sc2ncnc(NCc3ccco3)c2c1C
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is identified by CAS 108831-72-7, with molecular formula C13H13N3OS, molecular weight 259.33, InChIKey WDUFZXPIPXTHOB-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Microtubule-associated protein tau, Thyrotropin receptor, Tyrosyl-DNA phosphodiesterase 1, Nuclear factor erythroid 2-related factor 2. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
18
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
3
Ring count
3
Aromatic rings
3
Topological polar surface area
50.95 Ų
Computed LogP
3.51
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.
Structural features
N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CAS 108831-72-7) is maintained as a commercial cas reference with formula C13H13N3OS, molecular weight 259. 33 g/mol, PubChem CID 2077531.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Microtubule-associated protein tau (Homo sapiens) — 2 assays; Thyrotropin receptor (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays; Nuclear factor erythroid 2-related factor 2 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Microtubule-associated protein tau
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.8
Experimental evidence source: ChEMBL
Thyrotropin receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.6
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.3
Experimental evidence source: ChEMBL
Nuclear factor erythroid 2-related factor 2
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.