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

C17H15BrN4 — CID 112901822

IUPAC2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1ccnc(Nc2ccccc2Br)n1
InChIInChI=1S/C17H15BrN4/c1-12-6-2-4-8-14(12)20-16-10-11-19-17(22-16)21-15-9-5-3-7-13(15)18/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyHHPJFWXPLGCFFA-UHFFFAOYSA-N
MW355.24 g/mol
LogP5.03
Rot. Bonds4

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

2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112901822) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112901822
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1ccnc(Nc2ccccc2Br)n1
InChIInChI=1S/C17H15BrN4/c1-12-6-2-4-8-14(12)20-16-10-11-19-17(22-16)21-15-9-5-3-7-13(15)18/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyHHPJFWXPLGCFFA-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

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Related Compounds

2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
2-[[2-(2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112901878
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
CID 112889532
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885809
2-N-(2-bromophenyl)-4-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112906278
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
4-[[4-(2-bromoanilino)pyrimidin-2-yl]amino]benzoic acid
CID 56587964
4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886323
2-N-(2-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 112904141
4-N-(4-bromo-3-methylphenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904604
2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891979

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 112901822) is 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is Cc1ccccc1Nc1ccnc(Nc2ccccc2Br)n1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HHPJFWXPLGCFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c1-12-6-2-4-8-14(12)20-16-10-11-19-17(22-16)21-15-9-5-3-7-13(15)18/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-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 2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112901822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).