2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H13ClN4 — CID 82460692

IUPAC2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1nc2c(c(NCc3ccncc3)n1)CCC2
InChIInChI=1S/C13H13ClN4/c14-13-17-11-3-1-2-10(11)12(18-13)16-8-9-4-6-15-7-5-9/h4-7H,1-3,8H2,(H,16,17,18)
InChIKeyAKVXSXWRCLLPKK-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 82460692) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID82460692
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1nc2c(c(NCc3ccncc3)n1)CCC2
InChIInChI=1S/C13H13ClN4/c14-13-17-11-3-1-2-10(11)12(18-13)16-8-9-4-6-15-7-5-9/h4-7H,1-3,8H2,(H,16,17,18)
InChIKeyAKVXSXWRCLLPKK-UHFFFAOYSA-N
XLogP2.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(pyridin-4-ylmethyl)-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-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 82460692) is 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Clc1nc2c(c(NCc3ccncc3)n1)CCC2.
What is the InChIKey of 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is AKVXSXWRCLLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c14-13-17-11-3-1-2-10(11)12(18-13)16-8-9-4-6-15-7-5-9/h4-7H,1-3,8H2,(H,16,17,18).
What are the key properties of 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 260.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 82460692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).