6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine

C13H21ClN4 — CID 82459498

IUPAC6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-8(2)7-10-17-12(14)11(15)13(18-10)16-9-5-3-4-6-9/h8-9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyLPJVZEDFCQHJIN-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.27
Rot. Bonds4

About 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82459498) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82459498
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-8(2)7-10-17-12(14)11(15)13(18-10)16-9-5-3-4-6-9/h8-9H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyLPJVZEDFCQHJIN-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine 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 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82459498) is 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)Cc1nc(Cl)c(N)c(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is LPJVZEDFCQHJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-8(2)7-10-17-12(14)11(15)13(18-10)16-9-5-3-4-6-9/h8-9H,3-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).