4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine

C8H10ClN3 — CID 58495643

IUPAC4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
SMILESClc1ccnc(NCC2CC2)n1
InChIInChI=1S/C8H10ClN3/c9-7-3-4-10-8(12-7)11-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,10,11,12)
InChIKeyOBQQERMGFCHIBM-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.95
Rot. Bonds3

About 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine

4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine (PubChem CID 58495643) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
PubChem CID58495643
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
SMILESClc1ccnc(NCC2CC2)n1
InChIInChI=1S/C8H10ClN3/c9-7-3-4-10-8(12-7)11-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,10,11,12)
InChIKeyOBQQERMGFCHIBM-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-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 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine (CID 58495643) is 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine is Clc1ccnc(NCC2CC2)n1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine?
The InChIKey is OBQQERMGFCHIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-7-3-4-10-8(12-7)11-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,10,11,12).
What are the key properties of 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine?
4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine has a molecular weight of 183.64 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 58495643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).