Research chemical
CAS Number: 2624122-52-5
![2-[4-({4-[(3-aminopropyl)amino]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile dihydrochloride molecular structure, CAS 2624122-52-5](/structure-images/2624122-52-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
155978028
Exact Mass
475.176647
InChIKey
QPBHYTKLQTZABL-UHFFFAOYSA-N
IUPAC Name
2-[4-[[4-(3-aminopropylamino)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile;dihydrochloride
SMILES String
Cl.Cl.N#CCc1ccc(Nc2nc(NCCCN)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-[4-({4-[(3-aminopropyl)amino]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile dihydrochloride is identified by CAS 2624122-52-5, with molecular formula C21H27Cl2N9, molecular weight 476.4, InChIKey QPBHYTKLQTZABL-UHFFFAOYSA-N.
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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
32
H-bond acceptors
9
H-bond donors
6
Rotatable bonds
10
Ring count
4
Aromatic rings
3
Topological polar surface area
140.36 Ų
Computed LogP
4.23
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
2-[4-({4-[(3-aminopropyl)amino]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile dihydrochloride (CAS 2624122-52-5) is maintained as a commercial cas reference with formula C21H27Cl2N9, molecular weight 476.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
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.