N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H10N4O3 — CID 43599993

IUPACN-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNc1ccccc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H10N4O3/c12-7-3-1-2-4-8(7)14-9(16)6-5-13-11(18)15-10(6)17/h1-5H,12H2,(H,14,16)(H2,13,15,17,18)
InChIKeyOEZXNTBVCOIHGI-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.10
Rot. Bonds2

About N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 43599993) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID43599993
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNc1ccccc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H10N4O3/c12-7-3-1-2-4-8(7)14-9(16)6-5-13-11(18)15-10(6)17/h1-5H,12H2,(H,14,16)(H2,13,15,17,18)
InChIKeyOEZXNTBVCOIHGI-UHFFFAOYSA-N
XLogP-0.10
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60653296
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110857337
N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64786362
N-(4-bromo-2,5-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107612322
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
N-(2-aminophenyl)-3-chloro-6-oxo-1H-pyridazine-5-carboxamide
CID 86611609
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 43599993) is N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is Nc1ccccc1NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OEZXNTBVCOIHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-7-3-1-2-4-8(7)14-9(16)6-5-13-11(18)15-10(6)17/h1-5H,12H2,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 246.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 43599993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).