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

C12H10BrN3O3 — CID 61401037

IUPACN-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H10BrN3O3/c13-8-3-1-7(2-4-8)5-14-10(17)9-6-15-12(19)16-11(9)18/h1-4,6H,5H2,(H,14,17)(H2,15,16,18,19)
InChIKeyJJCTYDSWJLANDL-UHFFFAOYSA-N
MW324.13 g/mol
LogP0.76
Rot. Bonds3

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

N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 61401037) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID61401037
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC NameN-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H10BrN3O3/c13-8-3-1-7(2-4-8)5-14-10(17)9-6-15-12(19)16-11(9)18/h1-4,6H,5H2,(H,14,17)(H2,15,16,18,19)
InChIKeyJJCTYDSWJLANDL-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-[(3-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61410076
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663
N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61299281
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60638460
N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5130421
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64529437
N-[4-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64794316
N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707495
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 61401037) is N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCc1ccc(Br)cc1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JJCTYDSWJLANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c13-8-3-1-7(2-4-8)5-14-10(17)9-6-15-12(19)16-11(9)18/h1-4,6H,5H2,(H,14,17)(H2,15,16,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-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-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 61401037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).