2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide

C14H16N4O3 — CID 63799566

IUPAC2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)c(N)cn(C)c2=O)cc1
InChIInChI=1S/C14H16N4O3/c1-9-3-5-10(6-4-9)16-12(19)8-18-13(20)11(15)7-17(2)14(18)21/h3-7H,8,15H2,1-2H3,(H,16,19)
InChIKeyQNRMJOKNPDCETO-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.08
Rot. Bonds3

About 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide

2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 63799566) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID63799566
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)c(N)cn(C)c2=O)cc1
InChIInChI=1S/C14H16N4O3/c1-9-3-5-10(6-4-9)16-12(19)8-18-13(20)11(15)7-17(2)14(18)21/h3-7H,8,15H2,1-2H3,(H,16,19)
InChIKeyQNRMJOKNPDCETO-UHFFFAOYSA-N
XLogP0.08
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide (CID 63799566) is 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)c(N)cn(C)c2=O)cc1.
What is the InChIKey of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is QNRMJOKNPDCETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-3-5-10(6-4-9)16-12(19)8-18-13(20)11(15)7-17(2)14(18)21/h3-7H,8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 63799566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).