1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone

C15H18N2O — CID 173195541

IUPAC1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone
SMILESCC1=CC(C)N(CC(=O)c2ccccc2)C(C)=N1
InChIInChI=1S/C15H18N2O/c1-11-9-12(2)17(13(3)16-11)10-15(18)14-7-5-4-6-8-14/h4-9,12H,10H2,1-3H3
InChIKeyMSAHKCAFOBNEDT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.90
Rot. Bonds3

About 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone

1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone (PubChem CID 173195541) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone
PubChem CID173195541
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone
SMILESCC1=CC(C)N(CC(=O)c2ccccc2)C(C)=N1
InChIInChI=1S/C15H18N2O/c1-11-9-12(2)17(13(3)16-11)10-15(18)14-7-5-4-6-8-14/h4-9,12H,10H2,1-3H3
InChIKeyMSAHKCAFOBNEDT-UHFFFAOYSA-N
XLogP2.90
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 804713
4-methylsulfinyl-1-phenacylazetidin-2-one
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2-(6-imino-2,4-dimethylpyrimidin-1-yl)-1-phenylethanone
CID 5147485
trimethyl(phenacyl)azanium chloride
CID 10443212
4-bromo-3-phenacyl-1,3-thiazolidin-2-one
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2-(2-imino-4-methyl-5-phenyl-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide
CID 161308037
2-ethylsulfanyl-1-phenylethanone
CID 2776060
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
S-phenacyl 2,2-dimethylpropanethioate
CID 161413927
(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one
CID 67850729
2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone
CID 9420213

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone?
The IUPAC name of 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone (CID 173195541) is 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone is CC1=CC(C)N(CC(=O)c2ccccc2)C(C)=N1.
What is the InChIKey of 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone?
The InChIKey is MSAHKCAFOBNEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-12(2)17(13(3)16-11)10-15(18)14-7-5-4-6-8-14/h4-9,12H,10H2,1-3H3.
What are the key properties of 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone?
1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,4,6-trimethyl-4H-pyrimidin-3-yl)ethanone is sourced from PubChem (CID 173195541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).