N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide

C13H14N4O2 — CID 63769504

IUPACN-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1cnccc1=O
InChIInChI=1S/C13H14N4O2/c1-9-2-3-10(14)6-11(9)16-12(18)7-17-8-15-5-4-13(17)19/h2-6,8H,7,14H2,1H3,(H,16,18)
InChIKeyMBPQSXCEZKTUDP-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.77
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 63769504) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID63769504
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1cnccc1=O
InChIInChI=1S/C13H14N4O2/c1-9-2-3-10(14)6-11(9)16-12(18)7-17-8-15-5-4-13(17)19/h2-6,8H,7,14H2,1H3,(H,16,18)
InChIKeyMBPQSXCEZKTUDP-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-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 55237811
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224163
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 63769504) is N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide is Cc1ccc(N)cc1NC(=O)Cn1cnccc1=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is MBPQSXCEZKTUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-2-3-10(14)6-11(9)16-12(18)7-17-8-15-5-4-13(17)19/h2-6,8H,7,14H2,1H3,(H,16,18).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(5-amino-2-methylphenyl)-2-(6-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-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63769504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).