N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine

C14H22ClN3 — CID 63388833

IUPACN-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCCl)C2CCCC2)ncn1
InChIInChI=1S/C14H22ClN3/c1-2-5-12-10-14(17-11-16-12)18(9-8-15)13-6-3-4-7-13/h10-11,13H,2-9H2,1H3
InChIKeyUVXFHIJRVRPRHQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.42
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine

N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine (PubChem CID 63388833) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine
PubChem CID63388833
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCCl)C2CCCC2)ncn1
InChIInChI=1S/C14H22ClN3/c1-2-5-12-10-14(17-11-16-12)18(9-8-15)13-6-3-4-7-13/h10-11,13H,2-9H2,1H3
InChIKeyUVXFHIJRVRPRHQ-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-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 N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine (CID 63388833) is N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine is CCCc1cc(N(CCCl)C2CCCC2)ncn1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine?
The InChIKey is UVXFHIJRVRPRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-2-5-12-10-14(17-11-16-12)18(9-8-15)13-6-3-4-7-13/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine?
N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63388833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).