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

C18H15BrN4O — CID 109265249

IUPAC2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3)nc2)ccc1Br
InChIInChI=1S/C18H15BrN4O/c1-12-9-15(7-8-16(12)19)22-17(24)13-10-20-18(21-11-13)23-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyDWNCUEMXFQMLRG-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

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

2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265249) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265249
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3)nc2)ccc1Br
InChIInChI=1S/C18H15BrN4O/c1-12-9-15(7-8-16(12)19)22-17(24)13-10-20-18(21-11-13)23-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyDWNCUEMXFQMLRG-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
CID 109197124
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266029
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259353
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide (CID 109265249) is 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3ccccc3)nc2)ccc1Br.
What is the InChIKey of 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is DWNCUEMXFQMLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-9-15(7-8-16(12)19)22-17(24)13-10-20-18(21-11-13)23-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).