2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one

C10H14N2O — CID 115529797

IUPAC2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
SMILESCc1nccc(C(=O)C(C)(C)C)n1
InChIInChI=1S/C10H14N2O/c1-7-11-6-5-8(12-7)9(13)10(2,3)4/h5-6H,1-4H3
InChIKeyANSJJQUYGGBQCW-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds1

About 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one

2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one (PubChem CID 115529797) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
PubChem CID115529797
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
SMILESCc1nccc(C(=O)C(C)(C)C)n1
InChIInChI=1S/C10H14N2O/c1-7-11-6-5-8(12-7)9(13)10(2,3)4/h5-6H,1-4H3
InChIKeyANSJJQUYGGBQCW-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-(2-methylpyrimidin-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 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one (CID 115529797) is 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one is Cc1nccc(C(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
The InChIKey is ANSJJQUYGGBQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-11-6-5-8(12-7)9(13)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one is sourced from PubChem (CID 115529797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).