N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H10BrN3O3 — CID 61413769

IUPACN-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1Br)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10BrN3O3/c13-8-4-2-1-3-7(8)6-14-11(18)9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H,14,18)(H2,15,16,17,19)
InChIKeyNSOUMUIYTOKGPE-UHFFFAOYSA-N
MW324.13 g/mol
LogP0.76
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 61413769) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID61413769
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC NameN-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1Br)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10BrN3O3/c13-8-4-2-1-3-7(8)6-14-11(18)9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H,14,18)(H2,15,16,17,19)
InChIKeyNSOUMUIYTOKGPE-UHFFFAOYSA-N
XLogP0.76
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114332464
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 54896283
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
N-[(2-bromophenyl)methyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76903721
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 61413769) is N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCc1ccccc1Br)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NSOUMUIYTOKGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c13-8-4-2-1-3-7(8)6-14-11(18)9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 324.13 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 61413769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).