N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C17H12BrN3O2 — CID 92648623

IUPACN-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H12BrN3O2/c18-12-7-4-8-13(9-12)20-16(22)14-10-19-15(21-17(14)23)11-5-2-1-3-6-11/h1-10H,(H,20,22)(H,19,21,23)
InChIKeyGSUUYPVYQHZMEN-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.45
Rot. Bonds3

About N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648623) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648623
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC NameN-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H12BrN3O2/c18-12-7-4-8-13(9-12)20-16(22)14-10-19-15(21-17(14)23)11-5-2-1-3-6-11/h1-10H,(H,20,22)(H,19,21,23)
InChIKeyGSUUYPVYQHZMEN-UHFFFAOYSA-N
XLogP3.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648639
2-(3-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021110
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648753
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648657
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648652
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648757
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
methyl 5-[(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 92648749
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710
N-(4-bromo-2-methylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799250

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648623) is N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1cccc(Br)c1)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is GSUUYPVYQHZMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-12-7-4-8-13(9-12)20-16(22)14-10-19-15(21-17(14)23)11-5-2-1-3-6-11/h1-10H,(H,20,22)(H,19,21,23).
What are the key properties of N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 370.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).