4-chloro-6-methyl-2-pyridin-4-ylpyrimidine

C10H8ClN3 — CID 12764705

IUPAC4-chloro-6-methyl-2-pyridin-4-ylpyrimidine
SMILESCc1cc(Cl)nc(-c2ccncc2)n1
InChIInChI=1S/C10H8ClN3/c1-7-6-9(11)14-10(13-7)8-2-4-12-5-3-8/h2-6H,1H3
InChIKeyZSRSIZQAKUIMTE-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.50
Rot. Bonds1

About 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine

4-chloro-6-methyl-2-pyridin-4-ylpyrimidine (PubChem CID 12764705) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-pyridin-4-ylpyrimidine
PubChem CID12764705
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name4-chloro-6-methyl-2-pyridin-4-ylpyrimidine
SMILESCc1cc(Cl)nc(-c2ccncc2)n1
InChIInChI=1S/C10H8ClN3/c1-7-6-9(11)14-10(13-7)8-2-4-12-5-3-8/h2-6H,1H3
InChIKeyZSRSIZQAKUIMTE-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 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine 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-6-methyl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine (CID 12764705) is 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine is Cc1cc(Cl)nc(-c2ccncc2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine?
The InChIKey is ZSRSIZQAKUIMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-7-6-9(11)14-10(13-7)8-2-4-12-5-3-8/h2-6H,1H3.
What are the key properties of 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine?
4-chloro-6-methyl-2-pyridin-4-ylpyrimidine 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 4-chloro-6-methyl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 12764705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).