N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H10BrN3O3 — CID 82757582

IUPACN-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C12H10BrN3O3/c1-6-2-3-7(13)8(4-6)14-11(18)9-5-10(17)16-12(19)15-9/h2-5H,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyIQZUNZIDODCECY-UHFFFAOYSA-N
MW324.13 g/mol
LogP1.39
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 82757582) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID82757582
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC NameN-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C12H10BrN3O3/c1-6-2-3-7(13)8(4-6)14-11(18)9-5-10(17)16-12(19)15-9/h2-5H,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyIQZUNZIDODCECY-UHFFFAOYSA-N
XLogP1.39
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 82707211
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
N-(2-bromo-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 82766572
N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 63091406
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
(2-bromo-5-methylphenyl)urea
CID 82707313
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 82757582) is N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1ccc(Br)c(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is IQZUNZIDODCECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-6-2-3-7(13)8(4-6)14-11(18)9-5-10(17)16-12(19)15-9/h2-5H,1H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 324.13 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 82757582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).