4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine

C16H12Cl2N4 — CID 112865740

IUPAC4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2cc(Nc3ccccc3Cl)ncn2)cc1
InChIInChI=1S/C16H12Cl2N4/c17-11-5-7-12(8-6-11)21-15-9-16(20-10-19-15)22-14-4-2-1-3-13(14)18/h1-10H,(H2,19,20,21,22)
InChIKeyXVJFNPYZDPJNRZ-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.27
Rot. Bonds4

About 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine

4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine (PubChem CID 112865740) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
PubChem CID112865740
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
SMILESClc1ccc(Nc2cc(Nc3ccccc3Cl)ncn2)cc1
InChIInChI=1S/C16H12Cl2N4/c17-11-5-7-12(8-6-11)21-15-9-16(20-10-19-15)22-14-4-2-1-3-13(14)18/h1-10H,(H2,19,20,21,22)
InChIKeyXVJFNPYZDPJNRZ-UHFFFAOYSA-N
XLogP5.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877931
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864012
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
N-(2-chlorophenyl)pyrimidin-4-amine
CID 174441360
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
1-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865840

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine (CID 112865740) is 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine is Clc1ccc(Nc2cc(Nc3ccccc3Cl)ncn2)cc1.
What is the InChIKey of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is XVJFNPYZDPJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c17-11-5-7-12(8-6-11)21-15-9-16(20-10-19-15)22-14-4-2-1-3-13(14)18/h1-10H,(H2,19,20,21,22).
What are the key properties of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine?
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine has a molecular weight of 331.21 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).