2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine

C10H8ClN3 — CID 174557409

IUPAC2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine
SMILESCc1cc(Cl)c(-c2ncccn2)cn1
InChIInChI=1S/C10H8ClN3/c1-7-5-9(11)8(6-14-7)10-12-3-2-4-13-10/h2-6H,1H3
InChIKeyIAOJSBGWTHYLHU-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.50
Rot. Bonds1

About 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine

2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine (PubChem CID 174557409) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine
PubChem CID174557409
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine
SMILESCc1cc(Cl)c(-c2ncccn2)cn1
InChIInChI=1S/C10H8ClN3/c1-7-5-9(11)8(6-14-7)10-12-3-2-4-13-10/h2-6H,1H3
InChIKeyIAOJSBGWTHYLHU-UHFFFAOYSA-N
XLogP2.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine 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-(4-chloro-6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine (CID 174557409) is 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine is Cc1cc(Cl)c(-c2ncccn2)cn1.
What is the InChIKey of 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is IAOJSBGWTHYLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-7-5-9(11)8(6-14-7)10-12-3-2-4-13-10/h2-6H,1H3.
What are the key properties of 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine?
2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 205.65 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 174557409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).