2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C17H24N6 — CID 118731850

IUPAC2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C17H24N6/c1-12-11-15(22-21-12)19-16-13-7-6-8-14(13)18-17(20-16)23-9-4-2-3-5-10-23/h11H,2-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyOCXWHAMRIKCOOD-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.12
Rot. Bonds3

About 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 118731850) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID118731850
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C17H24N6/c1-12-11-15(22-21-12)19-16-13-7-6-8-14(13)18-17(20-16)23-9-4-2-3-5-10-23/h11H,2-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyOCXWHAMRIKCOOD-UHFFFAOYSA-N
XLogP3.12
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 118731850) is 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is OCXWHAMRIKCOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12-11-15(22-21-12)19-16-13-7-6-8-14(13)18-17(20-16)23-9-4-2-3-5-10-23/h11H,2-10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 118731850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).