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

C19H17BrN4O — CID 109255502

IUPAC2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NCc3ccccc3)nc2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-9-16(7-8-17(13)20)24-18(25)15-11-22-19(23-12-15)21-10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyBGFFCWMUWRJIND-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.41
Rot. Bonds5

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

2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109255502) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109255502
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NCc3ccccc3)nc2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-9-16(7-8-17(13)20)24-18(25)15-11-22-19(23-12-15)21-10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyBGFFCWMUWRJIND-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259353
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
CID 109346592
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109257713
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266029
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide (CID 109255502) is 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(NCc3ccccc3)nc2)ccc1Br.
What is the InChIKey of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is BGFFCWMUWRJIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-9-16(7-8-17(13)20)24-18(25)15-11-22-19(23-12-15)21-10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide?
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).