N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide

C19H17BrN4O — CID 109266029

IUPACN-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(N(C)c3ccccc3)nc2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-10-15(8-9-17(13)20)23-18(25)14-11-21-19(22-12-14)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,25)
InChIKeyZAHMXADYRMXEFN-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.57
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide

N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109266029) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
PubChem CID109266029
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(N(C)c3ccccc3)nc2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-10-15(8-9-17(13)20)23-18(25)14-11-21-19(22-12-14)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,25)
InChIKeyZAHMXADYRMXEFN-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
methyl 3-[[2-(N-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266014
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
ethyl 4-[[2-(N-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266034
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219450
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
CID 109197124
N-(4-bromo-3-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110863112
5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
CID 47460528
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide (CID 109266029) is N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(N(C)c3ccccc3)nc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is ZAHMXADYRMXEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-10-15(8-9-17(13)20)23-18(25)14-11-21-19(22-12-14)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).