4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

C19H19BrN4 — CID 112928546

IUPAC4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Br)c2)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H19BrN4/c1-12-6-4-9-17(14(12)3)23-19-21-13(2)10-18(24-19)22-16-8-5-7-15(20)11-16/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyMARFRGVKYJFEHD-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.65
Rot. Bonds4

About 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112928546) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112928546
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Br)c2)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H19BrN4/c1-12-6-4-9-17(14(12)3)23-19-21-13(2)10-18(24-19)22-16-8-5-7-15(20)11-16/h4-11H,1-3H3,(H2,21,22,23,24)
InChIKeyMARFRGVKYJFEHD-UHFFFAOYSA-N
XLogP5.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromophenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928496
2-N-(3-bromophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928396
2-N-(3-bromophenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928197
2-N-(3-bromophenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931864
2-N-(3-bromophenyl)-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929488
2-N-(3-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931959
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928552
3-[[2-(3-bromoanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194538
1-[3-[[2-(3-bromoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112931375
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907159
2-N-(3-bromophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931953
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112928546) is 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Br)c2)nc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is MARFRGVKYJFEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-12-6-4-9-17(14(12)3)23-19-21-13(2)10-18(24-19)22-16-8-5-7-15(20)11-16/h4-11H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).