1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine

C13H12ClN3 — CID 1239989

IUPAC1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine
SMILESCc1cc(C)nc(N=Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN3/c1-9-6-10(2)17-13(16-9)15-8-11-4-3-5-12(14)7-11/h3-8H,1-2H3
InChIKeyCTJUMEOTJDJDHC-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.50
Rot. Bonds2

About 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine

1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine (PubChem CID 1239989) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine
PubChem CID1239989
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine
SMILESCc1cc(C)nc(N=Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN3/c1-9-6-10(2)17-13(16-9)15-8-11-4-3-5-12(14)7-11/h3-8H,1-2H3
InChIKeyCTJUMEOTJDJDHC-UHFFFAOYSA-N
XLogP3.50
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine 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 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine (CID 1239989) is 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine is Cc1cc(C)nc(N=Cc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine?
The InChIKey is CTJUMEOTJDJDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c1-9-6-10(2)17-13(16-9)15-8-11-4-3-5-12(14)7-11/h3-8H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine?
1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine has a molecular weight of 245.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine is sourced from PubChem (CID 1239989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).