1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one

C14H14N2O — CID 12562149

IUPAC1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(-c2ccccc2)nc(C)n1
InChIInChI=1S/C14H14N2O/c1-3-14(17)13-9-12(15-10(2)16-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyRMRRYSVEHCEEDV-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.04
Rot. Bonds3

About 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one

1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one (PubChem CID 12562149) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
PubChem CID12562149
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(-c2ccccc2)nc(C)n1
InChIInChI=1S/C14H14N2O/c1-3-14(17)13-9-12(15-10(2)16-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyRMRRYSVEHCEEDV-UHFFFAOYSA-N
XLogP3.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
The IUPAC name of 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one (CID 12562149) is 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
The canonical SMILES for 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one is CCC(=O)c1cc(-c2ccccc2)nc(C)n1.
What is the InChIKey of 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
The InChIKey is RMRRYSVEHCEEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-14(17)13-9-12(15-10(2)16-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one has a molecular weight of 226.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one is sourced from PubChem (CID 12562149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).