4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C13H19ClN4 — CID 19428512

IUPAC4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESClc1cc(N2CCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C13H19ClN4/c14-11-9-12(18-7-3-4-8-18)17-13(16-11)15-10-5-1-2-6-10/h9-10H,1-8H2,(H,15,16,17)
InChIKeyJRMNGVRJLZQRDU-UHFFFAOYSA-N
MW266.78 g/mol
LogP3.08
Rot. Bonds3

About 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine

4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 19428512) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID19428512
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESClc1cc(N2CCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C13H19ClN4/c14-11-9-12(18-7-3-4-8-18)17-13(16-11)15-10-5-1-2-6-10/h9-10H,1-8H2,(H,15,16,17)
InChIKeyJRMNGVRJLZQRDU-UHFFFAOYSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 19428512) is 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine is Clc1cc(N2CCCC2)nc(NC2CCCC2)n1.
What is the InChIKey of 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is JRMNGVRJLZQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-11-9-12(18-7-3-4-8-18)17-13(16-11)15-10-5-1-2-6-10/h9-10H,1-8H2,(H,15,16,17).
What are the key properties of 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 266.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 19428512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).