4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine

C17H15BrN4 — CID 112864909

IUPAC4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccccc3Br)ncn2)c1
InChIInChI=1S/C17H15BrN4/c1-12-5-4-6-13(9-12)21-16-10-17(20-11-19-16)22-15-8-3-2-7-14(15)18/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyXEVZUXBWIYCJQI-UHFFFAOYSA-N
MW355.24 g/mol
LogP5.03
Rot. Bonds4

About 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine

4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112864909) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112864909
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccccc3Br)ncn2)c1
InChIInChI=1S/C17H15BrN4/c1-12-5-4-6-13(9-12)21-16-10-17(20-11-19-16)22-15-8-3-2-7-14(15)18/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyXEVZUXBWIYCJQI-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.24
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195056
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112866380
6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112864906
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
CID 107636993
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 112864909) is 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine is Cc1cccc(Nc2cc(Nc3ccccc3Br)ncn2)c1.
What is the InChIKey of 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is XEVZUXBWIYCJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c1-12-5-4-6-13(9-12)21-16-10-17(20-11-19-16)22-15-8-3-2-7-14(15)18/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 355.24 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).