4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine

C17H23N5 — CID 22544200

IUPAC4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C17H23N5/c1-2-12-7-3-6-10-14(12)22-17-15(18)16(19-11-20-17)21-13-8-4-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,18H2,1H3,(H2,19,20,21,22)
InChIKeyUUVCLVVJKSJTJV-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.72
Rot. Bonds5

About 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine

4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544200) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22544200
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C17H23N5/c1-2-12-7-3-6-10-14(12)22-17-15(18)16(19-11-20-17)21-13-8-4-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,18H2,1H3,(H2,19,20,21,22)
InChIKeyUUVCLVVJKSJTJV-UHFFFAOYSA-N
XLogP3.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
6-(azepan-1-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544049
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
6-N-(3-chloro-2-methylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22545486
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine (CID 22544200) is 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine is CCc1ccccc1Nc1ncnc(NC2CCCC2)c1N.
What is the InChIKey of 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is UUVCLVVJKSJTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-12-7-3-6-10-14(12)22-17-15(18)16(19-11-20-17)21-13-8-4-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine?
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 297.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).