methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate

C15H16N2O3S — CID 130236105

IUPACmethyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
SMILESCCc1nc(SC)c(C(=O)OC)c(=O)n1-c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-4-11-16-13(21-3)12(15(19)20-2)14(18)17(11)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyZPIDNUAPFFKQAL-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate

methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate (PubChem CID 130236105) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
PubChem CID130236105
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
SMILESCCc1nc(SC)c(C(=O)OC)c(=O)n1-c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-4-11-16-13(21-3)12(15(19)20-2)14(18)17(11)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyZPIDNUAPFFKQAL-UHFFFAOYSA-N
XLogP2.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 11483531
dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate
CID 134839740
2-ethyl-3-phenylquinazolin-4-one
CID 719985
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
CID 162691899
methyl 2-methylsulfanyl-4-oxo-3-phenylquinazoline-5-carboxylate
CID 23276189
1-(4-methylphenyl)-4-methylsulfanyl-2-(2-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxylic acid
CID 69220565
dimethyl 3-methylsulfanyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5,6-dicarboxylate
CID 135832618
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
methyl 4-(3,5-dichloro-6-oxo-1-phenylpyrazin-2-yl)benzoate
CID 45269852
6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 145057452

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate (CID 130236105) is methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate is CCc1nc(SC)c(C(=O)OC)c(=O)n1-c1ccccc1.
What is the InChIKey of methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate?
The InChIKey is ZPIDNUAPFFKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-4-11-16-13(21-3)12(15(19)20-2)14(18)17(11)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate?
methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 130236105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).