1-(6-acetylpyrimidin-4-yl)propan-1-one

C9H10N2O2 — CID 90334226

IUPAC1-(6-acetylpyrimidin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(C(C)=O)ncn1
InChIInChI=1S/C9H10N2O2/c1-3-9(13)8-4-7(6(2)12)10-5-11-8/h4-5H,3H2,1-2H3
InChIKeyASJKEFGGYFYMIG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.27
Rot. Bonds3

About 1-(6-acetylpyrimidin-4-yl)propan-1-one

1-(6-acetylpyrimidin-4-yl)propan-1-one (PubChem CID 90334226) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(6-acetylpyrimidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-acetylpyrimidin-4-yl)propan-1-one
PubChem CID90334226
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(6-acetylpyrimidin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(C(C)=O)ncn1
InChIInChI=1S/C9H10N2O2/c1-3-9(13)8-4-7(6(2)12)10-5-11-8/h4-5H,3H2,1-2H3
InChIKeyASJKEFGGYFYMIG-UHFFFAOYSA-N
XLogP1.27
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-acetylpyrimidin-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetylpyrimidin-4-yl)propan-1-one?
The IUPAC name of 1-(6-acetylpyrimidin-4-yl)propan-1-one (CID 90334226) is 1-(6-acetylpyrimidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(6-acetylpyrimidin-4-yl)propan-1-one?
The canonical SMILES for 1-(6-acetylpyrimidin-4-yl)propan-1-one is CCC(=O)c1cc(C(C)=O)ncn1.
What is the InChIKey of 1-(6-acetylpyrimidin-4-yl)propan-1-one?
The InChIKey is ASJKEFGGYFYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-9(13)8-4-7(6(2)12)10-5-11-8/h4-5H,3H2,1-2H3.
What are the key properties of 1-(6-acetylpyrimidin-4-yl)propan-1-one?
1-(6-acetylpyrimidin-4-yl)propan-1-one has a molecular weight of 178.19 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetylpyrimidin-4-yl)propan-1-one is sourced from PubChem (CID 90334226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).