2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109335162

IUPAC2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H17BrN4O/c1-12-3-7-15(8-4-12)22-18(25)17-11-13(2)21-19(24-17)23-16-9-5-14(20)6-10-16/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyGRRZUTSGYFGMTI-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

About 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109335162) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109335162
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H17BrN4O/c1-12-3-7-15(8-4-12)22-18(25)17-11-13(2)21-19(24-17)23-16-9-5-14(20)6-10-16/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyGRRZUTSGYFGMTI-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-methyl-2-(4-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109335103
methyl 4-[[4-methyl-6-[(4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109335183
6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109335176
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109335162) is 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GRRZUTSGYFGMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-3-7-15(8-4-12)22-18(25)17-11-13(2)21-19(24-17)23-16-9-5-14(20)6-10-16/h3-11H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109335162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).