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

C15H16N2O — CID 12562150

IUPAC2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)C)cc(-c2ccccc2)n1
InChIInChI=1S/C15H16N2O/c1-10(2)15(18)14-9-13(16-11(3)17-14)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyHWCRYSKESNDRDD-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.29
Rot. Bonds3

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

2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one (PubChem CID 12562150) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
PubChem CID12562150
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)C)cc(-c2ccccc2)n1
InChIInChI=1S/C15H16N2O/c1-10(2)15(18)14-9-13(16-11(3)17-14)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyHWCRYSKESNDRDD-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
CID 12562149
N,N,2-trimethyl-6-phenylpyrimidine-4-carboxamide
CID 12562155
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid
CID 16643374
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
N-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 16876874
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 82117119
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
[amino-(6-phenyl-2-propan-2-ylpyrimidin-4-yl)methylidene]carbamic acid
CID 91351517
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15604467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one (CID 12562150) is 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one is Cc1nc(C(=O)C(C)C)cc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
The InChIKey is HWCRYSKESNDRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)15(18)14-9-13(16-11(3)17-14)12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one?
2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one has a molecular weight of 240.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one is sourced from PubChem (CID 12562150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).