2-(chloromethyl)-5-methylpyrimidine;hydrochloride

C6H8Cl2N2 — CID 57345872

IUPAC2-(chloromethyl)-5-methylpyrimidine;hydrochloride
SMILESCc1cnc(CCl)nc1.Cl
InChIInChI=1S/C6H7ClN2.ClH/c1-5-3-8-6(2-7)9-4-5;/h3-4H,2H2,1H3;1H
InChIKeyHTCRCIHHNQXFGF-UHFFFAOYSA-N
MW179.05 g/mol
LogP1.95
Rot. Bonds1

About 2-(chloromethyl)-5-methylpyrimidine;hydrochloride

2-(chloromethyl)-5-methylpyrimidine;hydrochloride (PubChem CID 57345872) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methylpyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-5-methylpyrimidine;hydrochloride
PubChem CID57345872
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name2-(chloromethyl)-5-methylpyrimidine;hydrochloride
SMILESCc1cnc(CCl)nc1.Cl
InChIInChI=1S/C6H7ClN2.ClH/c1-5-3-8-6(2-7)9-4-5;/h3-4H,2H2,1H3;1H
InChIKeyHTCRCIHHNQXFGF-UHFFFAOYSA-N
XLogP1.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-5-methylpyrimidine;hydrochloride 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-(chloromethyl)-5-methylpyrimidine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-5-methylpyrimidine;hydrochloride (CID 57345872) is 2-(chloromethyl)-5-methylpyrimidine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-5-methylpyrimidine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-5-methylpyrimidine;hydrochloride is Cc1cnc(CCl)nc1.Cl.
What is the InChIKey of 2-(chloromethyl)-5-methylpyrimidine;hydrochloride?
The InChIKey is HTCRCIHHNQXFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.ClH/c1-5-3-8-6(2-7)9-4-5;/h3-4H,2H2,1H3;1H.
What are the key properties of 2-(chloromethyl)-5-methylpyrimidine;hydrochloride?
2-(chloromethyl)-5-methylpyrimidine;hydrochloride has a molecular weight of 179.05 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methylpyrimidine;hydrochloride is sourced from PubChem (CID 57345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).