2-chloro-4-methylpyrimidine

C5H5ClN2 — CID 11629607

IUPAC2-chloro-4-methylpyrimidine
SMILESCc1ccnc(Cl)n1
InChIInChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKeyBHAKRVSCGILCEW-UHFFFAOYSA-N
MW128.56 g/mol
LogP1.44
Rot. Bonds

About 2-chloro-4-methylpyrimidine

2-chloro-4-methylpyrimidine (PubChem CID 11629607) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is 2-chloro-4-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-methylpyrimidine
PubChem CID11629607
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name2-chloro-4-methylpyrimidine
SMILESCc1ccnc(Cl)n1
InChIInChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKeyBHAKRVSCGILCEW-UHFFFAOYSA-N
XLogP1.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-methylpyrimidine 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-4-methylpyrimidine?
The IUPAC name of 2-chloro-4-methylpyrimidine (CID 11629607) is 2-chloro-4-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-methylpyrimidine?
The canonical SMILES for 2-chloro-4-methylpyrimidine is Cc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-methylpyrimidine?
The InChIKey is BHAKRVSCGILCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3.
What are the key properties of 2-chloro-4-methylpyrimidine?
2-chloro-4-methylpyrimidine has a molecular weight of 128.56 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyrimidine is sourced from PubChem (CID 11629607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).