2,5-dichloro-N-cyclopentylpyrimidin-4-amine

C9H11Cl2N3 — CID 79633393

IUPAC2,5-dichloro-N-cyclopentylpyrimidin-4-amine
SMILESClc1ncc(Cl)c(NC2CCCC2)n1
InChIInChI=1S/C9H11Cl2N3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)
InChIKeyJJSPQVKGICNBDO-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.14
Rot. Bonds2

About 2,5-dichloro-N-cyclopentylpyrimidin-4-amine

2,5-dichloro-N-cyclopentylpyrimidin-4-amine (PubChem CID 79633393) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclopentylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-cyclopentylpyrimidin-4-amine
PubChem CID79633393
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2,5-dichloro-N-cyclopentylpyrimidin-4-amine
SMILESClc1ncc(Cl)c(NC2CCCC2)n1
InChIInChI=1S/C9H11Cl2N3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)
InChIKeyJJSPQVKGICNBDO-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-cyclopentylpyrimidin-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 2,5-dichloro-N-cyclopentylpyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-cyclopentylpyrimidin-4-amine (CID 79633393) is 2,5-dichloro-N-cyclopentylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-cyclopentylpyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-cyclopentylpyrimidin-4-amine is Clc1ncc(Cl)c(NC2CCCC2)n1.
What is the InChIKey of 2,5-dichloro-N-cyclopentylpyrimidin-4-amine?
The InChIKey is JJSPQVKGICNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14).
What are the key properties of 2,5-dichloro-N-cyclopentylpyrimidin-4-amine?
2,5-dichloro-N-cyclopentylpyrimidin-4-amine has a molecular weight of 232.11 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclopentylpyrimidin-4-amine is sourced from PubChem (CID 79633393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).