methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

C14H14F2N2O4 — CID 57306246

IUPACmethyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCC1=NC(=O)NC(c2ccc(F)c(F)c2)C1C(=O)OC
InChIInChI=1S/C14H14F2N2O4/c1-21-6-10-11(13(19)22-2)12(18-14(20)17-10)7-3-4-8(15)9(16)5-7/h3-5,11-12H,6H2,1-2H3,(H,18,20)
InChIKeyCALIHNUAVYSCSK-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.61
Rot. Bonds4

About methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 57306246) has the molecular formula C14H14F2N2O4 and a molecular weight of 312.27 g/mol. Its IUPAC name is methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID57306246
Molecular FormulaC14H14F2N2O4
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Namemethyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCC1=NC(=O)NC(c2ccc(F)c(F)c2)C1C(=O)OC
InChIInChI=1S/C14H14F2N2O4/c1-21-6-10-11(13(19)22-2)12(18-14(20)17-10)7-3-4-8(15)9(16)5-7/h3-5,11-12H,6H2,1-2H3,(H,18,20)
InChIKeyCALIHNUAVYSCSK-UHFFFAOYSA-N
XLogP1.61
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
CID 57111197
(6S)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91182718
ethyl 4-(chloromethyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921060
benzyl 4-[2-(3-chlorophenyl)ethyl]-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90914936
butan-2-yl 6-(3-bromo-4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 123447743
benzyl 6-(4-chlorophenyl)-4-[2-(3-methoxyphenyl)ethyl]-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91208137
(3-fluorophenyl)methyl 6-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91024280
tert-butyl 6-(4-fluoro-3-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91244720
methyl 6-(4-tert-butylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 123730374
methyl 6-(chloromethyl)-4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110273775
2-methylpropyl 6-(3-bromo-4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921406
methyl 4-(3,4-difluorophenyl)-3-[formyl-[2-hydroxy-3-(4-pyridin-2-ylpiperidin-1-yl)propyl]amino]-6-(methoxymethyl)-2-oxo-4,5-dihydropyrimidine-5-carboxylate
CID 90750045

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 57306246) is methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is COCC1=NC(=O)NC(c2ccc(F)c(F)c2)C1C(=O)OC.
What is the InChIKey of methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is CALIHNUAVYSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4/c1-21-6-10-11(13(19)22-2)12(18-14(20)17-10)7-3-4-8(15)9(16)5-7/h3-5,11-12H,6H2,1-2H3,(H,18,20).
What are the key properties of methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 312.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 57306246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).