methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate

C15H14N2O5S — CID 135436062

IUPACmethyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(SCC(=O)OCc2ccccc2)n1
InChIInChI=1S/C15H14N2O5S/c1-21-14(20)11-7-12(18)17-15(16-11)23-9-13(19)22-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,17,18)
InChIKeyGEAVPGYCNCIOJM-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.39
Rot. Bonds6

About methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate

methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate (PubChem CID 135436062) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate
PubChem CID135436062
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namemethyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(SCC(=O)OCc2ccccc2)n1
InChIInChI=1S/C15H14N2O5S/c1-21-14(20)11-7-12(18)17-15(16-11)23-9-13(19)22-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,17,18)
InChIKeyGEAVPGYCNCIOJM-UHFFFAOYSA-N
XLogP1.39
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate with MolForge

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Related Compounds

methyl 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135561455
benzyl 2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714780
2-benzylsulfanyl-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135403625
2-phenoxyethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135439276
ethyl 2-[[6-oxo-4-(phenylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetate
CID 136686998
benzyl 2-[[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetate
CID 135847534
methyl 4-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 135561481
methyl 2-[6-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1H-pyrimidin-4-yl]acetate
CID 135734653
3-O-benzyl 5-O-methyl 1H-pyrazole-3,5-dicarboxylate
CID 91757662
ethyl 2-[[2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate
CID 135561440
benzyl 2-methylsulfanylacetate
CID 89146896
benzyl 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate
CID 136685527

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate (CID 135436062) is methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate is COC(=O)c1cc(=O)[nH]c(SCC(=O)OCc2ccccc2)n1.
What is the InChIKey of methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate?
The InChIKey is GEAVPGYCNCIOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-21-14(20)11-7-12(18)17-15(16-11)23-9-13(19)22-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,17,18).
What are the key properties of methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate?
methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-2-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135436062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).