N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H12BrN3O3 — CID 60638460

IUPACN-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O3/c1-7(8-2-4-9(14)5-3-8)16-11(18)10-6-15-13(20)17-12(10)19/h2-7H,1H3,(H,16,18)(H2,15,17,19,20)
InChIKeyFUGYNUYGMUEWID-UHFFFAOYSA-N
MW338.16 g/mol
LogP1.32
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 60638460) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID60638460
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O3/c1-7(8-2-4-9(14)5-3-8)16-11(18)10-6-15-13(20)17-12(10)19/h2-7H,1H3,(H,16,18)(H2,15,17,19,20)
InChIKeyFUGYNUYGMUEWID-UHFFFAOYSA-N
XLogP1.32
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61401037
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 47059465
N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61066772
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 60739691
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid
CID 99933375
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 61174306
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 60638460) is N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is CC(NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FUGYNUYGMUEWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-7(8-2-4-9(14)5-3-8)16-11(18)10-6-15-13(20)17-12(10)19/h2-7H,1H3,(H,16,18)(H2,15,17,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 338.16 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 60638460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).