methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate

C15H16N2O3 — CID 751754

IUPACmethyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C
InChIInChI=1S/C15H16N2O3/c1-10-14(12-7-5-4-6-8-12)15(19)16-11(2)17(10)9-13(18)20-3/h4-8H,9H2,1-3H3
InChIKeyUBMMRLLSCFKAGE-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate

methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate (PubChem CID 751754) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate
PubChem CID751754
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C
InChIInChI=1S/C15H16N2O3/c1-10-14(12-7-5-4-6-8-12)15(19)16-11(2)17(10)9-13(18)20-3/h4-8H,9H2,1-3H3
InChIKeyUBMMRLLSCFKAGE-UHFFFAOYSA-N
XLogP1.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4(1H)-one
CID 658356
6-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)hexanoic acid
CID 1729841
2,3,6-trimethyl-5-phenylpyrimidin-4(3H)-one
CID 776568
1-(2-Hydroxyethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 792606
Ethyl 4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)butanoate
CID 2997544
2,6-Dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one
CID 2929612
2,6-Dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one
CID 892504
2-[2-[2-(4-Fluorophenyl)ethyl]-5,6-dimethyl-4-oxopyrimidin-1-yl]acetic acid
CID 58788211
2-[2-[2-(2,4-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid
CID 58788220
2-[2-[2-(4-fluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid
CID 58788267
2-[2-[2-(3-fluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid
CID 58788271
ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate
CID 58788309

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate (CID 751754) is methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate is COC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C.
What is the InChIKey of methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate?
The InChIKey is UBMMRLLSCFKAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-14(12-7-5-4-6-8-12)15(19)16-11(2)17(10)9-13(18)20-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate?
methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate has a molecular weight of 272.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate is sourced from PubChem (CID 751754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).