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

C16H12Cl2N4 — CID 112865738

IUPAC4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
SMILESClc1ccccc1Nc1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C16H12Cl2N4/c17-11-5-1-3-7-13(11)21-15-9-16(20-10-19-15)22-14-8-4-2-6-12(14)18/h1-10H,(H2,19,20,21,22)
InChIKeyVAYIDNBWXYUROL-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.27
Rot. Bonds4

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

4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine (PubChem CID 112865738) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
PubChem CID112865738
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
SMILESClc1ccccc1Nc1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C16H12Cl2N4/c17-11-5-1-3-7-13(11)21-15-9-16(20-10-19-15)22-14-8-4-2-6-12(14)18/h1-10H,(H2,19,20,21,22)
InChIKeyVAYIDNBWXYUROL-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-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
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
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861730
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine (CID 112865738) is 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine is Clc1ccccc1Nc1cc(Nc2ccccc2Cl)ncn1.
What is the InChIKey of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is VAYIDNBWXYUROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c17-11-5-1-3-7-13(11)21-15-9-16(20-10-19-15)22-14-8-4-2-6-12(14)18/h1-10H,(H2,19,20,21,22).
What are the key properties of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine?
4-N,6-N-bis(2-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,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).