methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate

C15H15FN2O4 — CID 141295056

IUPACmethyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cc2ccc(F)cc2)n(C)c(=O)c1OC
InChIInChI=1S/C15H15FN2O4/c1-18-11(8-9-4-6-10(16)7-5-9)17-12(15(20)22-3)13(21-2)14(18)19/h4-7H,8H2,1-3H3
InChIKeyNOKKFXHMYZOPSQ-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate

methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate (PubChem CID 141295056) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
PubChem CID141295056
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Namemethyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cc2ccc(F)cc2)n(C)c(=O)c1OC
InChIInChI=1S/C15H15FN2O4/c1-18-11(8-9-4-6-10(16)7-5-9)17-12(15(20)22-3)13(21-2)14(18)19/h4-7H,8H2,1-3H3
InChIKeyNOKKFXHMYZOPSQ-UHFFFAOYSA-N
XLogP1.31
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-benzyl-5,6-dihydroxypyrimidine-4-carboxylate
CID 135466449
Methyl 2-(4-fluorophenyl)-5,6-dihydroxypyrimidine-4-carboxylate
CID 136098690
methyl 2-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 168293156
methyl 2-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 141295047
methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 141295054
methyl 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 168276091
2-(2,6-Difluoro-phenyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid ethyl ester
CID 54691434
2-[(4-Fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54711993
2-[(4-Fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 141295067
6-(4-Ethylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-5-methoxy-3-methylpyrimidin-4-one
CID 141295069
Methyl 5-methoxy-1-methyl-6-oxo-2-(1,1,1-trifluoro-3,3-diphenylpropan-2-yl)pyrimidine-4-carboxylate
CID 166114431
Methyl 2-(3-fluoro-1,1-diphenylpropan-2-yl)-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 170945438

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate (CID 141295056) is methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate is COC(=O)c1nc(Cc2ccc(F)cc2)n(C)c(=O)c1OC.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate?
The InChIKey is NOKKFXHMYZOPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-18-11(8-9-4-6-10(16)7-5-9)17-12(15(20)22-3)13(21-2)14(18)19/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate?
methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate has a molecular weight of 306.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 141295056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).