4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine

C16H11Cl2N3 — CID 11580497

IUPAC4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine
SMILESClc1ccc(Nc2nccc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H11Cl2N3/c17-12-4-6-14(7-5-12)20-16-19-9-8-15(21-16)11-2-1-3-13(18)10-11/h1-10H,(H,19,20,21)
InChIKeyDMPLZTRKPZGODD-UHFFFAOYSA-N
MW316.19 g/mol
LogP5.19
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine

4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine (PubChem CID 11580497) has the molecular formula C16H11Cl2N3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine
PubChem CID11580497
Molecular FormulaC16H11Cl2N3
Molecular Weight316.19 g/mol
Exact Mass315.03
IUPAC Name4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine
SMILESClc1ccc(Nc2nccc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H11Cl2N3/c17-12-4-6-14(7-5-12)20-16-19-9-8-15(21-16)11-2-1-3-13(18)10-11/h1-10H,(H,19,20,21)
InChIKeyDMPLZTRKPZGODD-UHFFFAOYSA-N
XLogP5.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.19
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-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 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine (CID 11580497) is 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine is Clc1ccc(Nc2nccc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine?
The InChIKey is DMPLZTRKPZGODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3/c17-12-4-6-14(7-5-12)20-16-19-9-8-15(21-16)11-2-1-3-13(18)10-11/h1-10H,(H,19,20,21).
What are the key properties of 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine?
4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine has a molecular weight of 316.19 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(4-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 11580497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).