2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine

C8H10ClN3 — CID 53346646

IUPAC2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC2)nc(Cl)n1
InChIInChI=1S/C8H10ClN3/c1-5-4-7(11-6-2-3-6)12-8(9)10-5/h4,6H,2-3H2,1H3,(H,10,11,12)
InChIKeyUVTADUQYEZQCAM-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine

2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine (PubChem CID 53346646) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
PubChem CID53346646
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC2)nc(Cl)n1
InChIInChI=1S/C8H10ClN3/c1-5-4-7(11-6-2-3-6)12-8(9)10-5/h4,6H,2-3H2,1H3,(H,10,11,12)
InChIKeyUVTADUQYEZQCAM-UHFFFAOYSA-N
XLogP2.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-cyclopropyl-6-methylpyrimidin-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-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine (CID 53346646) is 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine is Cc1cc(NC2CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine?
The InChIKey is UVTADUQYEZQCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-5-4-7(11-6-2-3-6)12-8(9)10-5/h4,6H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine?
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine has a molecular weight of 183.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 53346646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).