4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine

C13H19ClN4 — CID 63021701

IUPAC4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCC1C1CCCC1
InChIInChI=1S/C13H19ClN4/c14-12-11(15)13(17-8-16-12)18-7-3-6-10(18)9-4-1-2-5-9/h8-10H,1-7,15H2
InChIKeyPCZVASUFHVDVCG-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.87
Rot. Bonds2

About 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine

4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine (PubChem CID 63021701) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
PubChem CID63021701
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCC1C1CCCC1
InChIInChI=1S/C13H19ClN4/c14-12-11(15)13(17-8-16-12)18-7-3-6-10(18)9-4-1-2-5-9/h8-10H,1-7,15H2
InChIKeyPCZVASUFHVDVCG-UHFFFAOYSA-N
XLogP2.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-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 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine (CID 63021701) is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine is Nc1c(Cl)ncnc1N1CCCC1C1CCCC1.
What is the InChIKey of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine?
The InChIKey is PCZVASUFHVDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-12-11(15)13(17-8-16-12)18-7-3-6-10(18)9-4-1-2-5-9/h8-10H,1-7,15H2.
What are the key properties of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine?
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine has a molecular weight of 266.78 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 63021701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).