ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate

C15H16N2O3 — CID 135449514

IUPACethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-13(18)9-12-10(2)16-14(17-15(12)19)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,19)
InChIKeyRZPFHRZHWJQMTE-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate

ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate (PubChem CID 135449514) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate
PubChem CID135449514
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-13(18)9-12-10(2)16-14(17-15(12)19)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,19)
InChIKeyRZPFHRZHWJQMTE-UHFFFAOYSA-N
XLogP1.85
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (5-methyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 655077
Ethyl (2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 753217
Sdccgsbi-0658292.P001
CID 9550212
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
Pentyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135449607
Ethyl 5-fluoro-1,6-dihydro-6-oxo-2-phenyl-4-pyrimidinecarboxylate
CID 135744231
Ethyl [5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 753216
Hexyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135468759
2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one
CID 135465387
2-(4-ethylphenyl)-5-(2-hydroxyethyl)-6-methyl-4(3H)-pyrimidinone
CID 135472861
5-Allyl-6-methyl-2-phenylpyrimidin-4-ol
CID 135411368
ethyl 2-[6-oxo-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetate
CID 136328934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate (CID 135449514) is ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate is CCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
The InChIKey is RZPFHRZHWJQMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-13(18)9-12-10(2)16-14(17-15(12)19)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,19).
What are the key properties of ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate?
ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate has a molecular weight of 272.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 135449514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).