ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate

C15H15FN2O3 — CID 136934063

IUPACethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2c(C)cccc2F)[nH]c1=O
InChIInChI=1S/C15H15FN2O3/c1-4-21-15(20)12-9(3)17-13(18-14(12)19)11-8(2)6-5-7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyHFWQRSGMZBWGGW-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.37
Rot. Bonds3

About ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 136934063) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID136934063
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2c(C)cccc2F)[nH]c1=O
InChIInChI=1S/C15H15FN2O3/c1-4-21-15(20)12-9(3)17-13(18-14(12)19)11-8(2)6-5-7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyHFWQRSGMZBWGGW-UHFFFAOYSA-N
XLogP2.37
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-hydroxy-2-phenylpyrimidine-5-carboxylate
CID 657593
2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741891
2-(P-Tolyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 136219324
Ethyl 5-fluoro-1,6-dihydro-6-oxo-2-phenyl-4-pyrimidinecarboxylate
CID 135744231
ethyl 2-(2-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 12535796
ethyl 6-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate
CID 12535812
Ethyl 4-hydroxy-2-(4'-trifluoromethylphenyl)pyrimidine-5-carboxylate
CID 12535815
Ethyl 4-methyl-2-phenyl-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate
CID 13016357
ethyl 6-oxo-2-phenyl-5-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-carboxylate
CID 137309293
Ethyl 4-(methylsulfanyl)-6-oxo-2-phenyl-1,6-dihydro-5-pyrimidinecarboxylate
CID 23910991
ethyl 6-oxo-2,4-diphenyl-1H-pyrimidine-5-carboxylate
CID 136051309
Ethyl 2-(3,4-difluorophenyl)-4-hydroxypyrimidine-5-carboxylate
CID 57815146

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate (CID 136934063) is ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2c(C)cccc2F)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is HFWQRSGMZBWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-4-21-15(20)12-9(3)17-13(18-14(12)19)11-8(2)6-5-7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 290.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-6-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 136934063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).