5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine

C12H11Cl2N3 — CID 172881704

IUPAC5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ncncc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-17(12-11(14)6-15-8-16-12)7-9-2-4-10(13)5-3-9/h2-6,8H,7H2,1H3
InChIKeyKJFFLZMLXJJGMP-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.42
Rot. Bonds3

About 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine

5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 172881704) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID172881704
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ncncc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-17(12-11(14)6-15-8-16-12)7-9-2-4-10(13)5-3-9/h2-6,8H,7H2,1H3
InChIKeyKJFFLZMLXJJGMP-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine 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 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine (CID 172881704) is 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine is CN(Cc1ccc(Cl)cc1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is KJFFLZMLXJJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-17(12-11(14)6-15-8-16-12)7-9-2-4-10(13)5-3-9/h2-6,8H,7H2,1H3.
What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 268.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 172881704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).