2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

C9H13N3O2 — CID 170687595

IUPAC2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCC(C)c1ccn(CC(N)=O)c(=O)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)7-3-4-12(5-8(10)13)9(14)11-7/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyWPBYWCXWPYLGLR-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.15
Rot. Bonds3

About 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 170687595) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID170687595
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCC(C)c1ccn(CC(N)=O)c(=O)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)7-3-4-12(5-8(10)13)9(14)11-7/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyWPBYWCXWPYLGLR-UHFFFAOYSA-N
XLogP-0.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (CID 170687595) is 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is CC(C)c1ccn(CC(N)=O)c(=O)n1.
What is the InChIKey of 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is WPBYWCXWPYLGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)7-3-4-12(5-8(10)13)9(14)11-7/h3-4,6H,5H2,1-2H3,(H2,10,13).
What are the key properties of 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 195.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 170687595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).