4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C17H26N6 — CID 154866636

IUPAC4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)N1CCC(CCNc2ncnc3nc(N)ccc23)CC1
InChIInChI=1S/C17H26N6/c1-12(2)23-9-6-13(7-10-23)5-8-19-16-14-3-4-15(18)22-17(14)21-11-20-16/h3-4,11-13H,5-10H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyVYMNPNDRDRZJPM-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.53
Rot. Bonds5

About 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 154866636) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID154866636
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)N1CCC(CCNc2ncnc3nc(N)ccc23)CC1
InChIInChI=1S/C17H26N6/c1-12(2)23-9-6-13(7-10-23)5-8-19-16-14-3-4-15(18)22-17(14)21-11-20-16/h3-4,11-13H,5-10H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyVYMNPNDRDRZJPM-UHFFFAOYSA-N
XLogP2.53
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 154866636) is 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CC(C)N1CCC(CCNc2ncnc3nc(N)ccc23)CC1.
What is the InChIKey of 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is VYMNPNDRDRZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-12(2)23-9-6-13(7-10-23)5-8-19-16-14-3-4-15(18)22-17(14)21-11-20-16/h3-4,11-13H,5-10H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 314.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 154866636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).