N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide

C13H14N4O2 — CID 63206473

IUPACN-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cnc(=O)n(CC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C13H14N4O2/c1-9-6-15-13(19)17(7-9)8-12(18)16-11-4-2-3-10(14)5-11/h2-7H,8,14H2,1H3,(H,16,18)
InChIKeyLEWCQTISUMVFEG-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.77
Rot. Bonds3

About N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide

N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 63206473) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID63206473
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cnc(=O)n(CC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C13H14N4O2/c1-9-6-15-13(19)17(7-9)8-12(18)16-11-4-2-3-10(14)5-11/h2-7H,8,14H2,1H3,(H,16,18)
InChIKeyLEWCQTISUMVFEG-UHFFFAOYSA-N
XLogP0.77
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.77
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

N-(5-amino-2-methoxyphenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
CID 63205929
ethyl 1-[2-(3-aminoanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 81494606
2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 79354801
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621
methyl 4-amino-1-[2-(3-methylanilino)-2-oxoethyl]pyrrole-2-carboxylate
CID 61294227
N-(3-aminophenyl)-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64836220
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-ethoxyphenyl)acetamide
CID 62814962
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide (CID 63206473) is N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide is Cc1cnc(=O)n(CC(=O)Nc2cccc(N)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is LEWCQTISUMVFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-6-15-13(19)17(7-9)8-12(18)16-11-4-2-3-10(14)5-11/h2-7H,8,14H2,1H3,(H,16,18).
What are the key properties of N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 258.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63206473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).