ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate

C18H17N3O4S — CID 90451326

IUPACethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2nc(S(C)=O)ncc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-4-25-17(23)14-11(2)21(12-8-6-5-7-9-12)16-13(15(14)22)10-19-18(20-16)26(3)24/h5-10H,4H2,1-3H3
InChIKeyWOBNUVQTBBNZLN-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.00
Rot. Bonds4

About ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 90451326) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID90451326
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Nameethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2nc(S(C)=O)ncc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-4-25-17(23)14-11(2)21(12-8-6-5-7-9-12)16-13(15(14)22)10-19-18(20-16)26(3)24/h5-10H,4H2,1-3H3
InChIKeyWOBNUVQTBBNZLN-UHFFFAOYSA-N
XLogP2.00
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 13157266
ethyl 4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 11483531
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
CID 58589568
ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 166095197
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 5-hydroxy-8-(4-morpholin-4-ylphenyl)-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 54735700
ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 54731864
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate
CID 143501790
ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
CID 15420181
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 90451326) is ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c2nc(S(C)=O)ncc2c1=O.
What is the InChIKey of ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WOBNUVQTBBNZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-4-25-17(23)14-11(2)21(12-8-6-5-7-9-12)16-13(15(14)22)10-19-18(20-16)26(3)24/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 90451326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).