2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one

C9H12N2O — CID 23333319

IUPAC2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
SMILESCc1nccc(C(=O)C(C)C)n1
InChIInChI=1S/C9H12N2O/c1-6(2)9(12)8-4-5-10-7(3)11-8/h4-6H,1-3H3
InChIKeyRYRWMKNNEORDLO-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.62
Rot. Bonds2

About 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one

2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one (PubChem CID 23333319) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
PubChem CID23333319
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
SMILESCc1nccc(C(=O)C(C)C)n1
InChIInChI=1S/C9H12N2O/c1-6(2)9(12)8-4-5-10-7(3)11-8/h4-6H,1-3H3
InChIKeyRYRWMKNNEORDLO-UHFFFAOYSA-N
XLogP1.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one (CID 23333319) is 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one is Cc1nccc(C(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
The InChIKey is RYRWMKNNEORDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(2)9(12)8-4-5-10-7(3)11-8/h4-6H,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one?
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one has a molecular weight of 164.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one is sourced from PubChem (CID 23333319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).