4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

C19H19BrN4 — CID 112890498

IUPAC4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nccc(Nc3ccc(Br)c(C)c3)n2)cc1
InChIInChI=1S/C19H19BrN4/c1-13-3-5-15(6-4-13)12-22-19-21-10-9-18(24-19)23-16-7-8-17(20)14(2)11-16/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyZXDZKZIJEYTVRV-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.21
Rot. Bonds5

About 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112890498) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112890498
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nccc(Nc3ccc(Br)c(C)c3)n2)cc1
InChIInChI=1S/C19H19BrN4/c1-13-3-5-15(6-4-13)12-22-19-21-10-9-18(24-19)23-16-7-8-17(20)14(2)11-16/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyZXDZKZIJEYTVRV-UHFFFAOYSA-N
XLogP5.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-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

4-N-(3-bromo-4-methylphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892590
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
2-N-(3-chloro-4-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890332
2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890373
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
methyl 3-[[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112890483
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589
2-N-(4-bromo-3-methylphenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112900224
2-N-(3-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893750
2-N-(4-bromo-3-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900416
4-N-(4-bromo-3-methylphenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904604
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-bromo-3-methylphenyl)pyrimidine-2,4-diamine
CID 112906402

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112890498) is 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1ccc(CNc2nccc(Nc3ccc(Br)c(C)c3)n2)cc1.
What is the InChIKey of 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZXDZKZIJEYTVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-13-3-5-15(6-4-13)12-22-19-21-10-9-18(24-19)23-16-7-8-17(20)14(2)11-16/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112890498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).