N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

C12H12N4O2 — CID 63768463

IUPACN-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccccc1NC(=O)Cn1cnccc1=O
InChIInChI=1S/C12H12N4O2/c13-9-3-1-2-4-10(9)15-11(17)7-16-8-14-6-5-12(16)18/h1-6,8H,7,13H2,(H,15,17)
InChIKeyORGRVSPOPQIRPM-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.46
Rot. Bonds3

About N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 63768463) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID63768463
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESNc1ccccc1NC(=O)Cn1cnccc1=O
InChIInChI=1S/C12H12N4O2/c13-9-3-1-2-4-10(9)15-11(17)7-16-8-14-6-5-12(16)18/h1-6,8H,7,13H2,(H,15,17)
InChIKeyORGRVSPOPQIRPM-UHFFFAOYSA-N
XLogP0.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 55237811
N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308829
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 55064353
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(2-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962477
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679462

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 63768463) is N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is Nc1ccccc1NC(=O)Cn1cnccc1=O.
What is the InChIKey of N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ORGRVSPOPQIRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-9-3-1-2-4-10(9)15-11(17)7-16-8-14-6-5-12(16)18/h1-6,8H,7,13H2,(H,15,17).
What are the key properties of N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 244.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63768463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).