methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate

C16H13N3O3S — CID 135451700

IUPACmethyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2nc(SC)[nH]c(=O)c12
InChIInChI=1S/C16H13N3O3S/c1-22-15(21)10-8-11(9-6-4-3-5-7-9)17-13-12(10)14(20)19-16(18-13)23-2/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyFTZJFXRJFZOBMC-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.49
Rot. Bonds3

About methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate

methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 135451700) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID135451700
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2nc(SC)[nH]c(=O)c12
InChIInChI=1S/C16H13N3O3S/c1-22-15(21)10-8-11(9-6-4-3-5-7-9)17-13-12(10)14(20)19-16(18-13)23-2/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyFTZJFXRJFZOBMC-UHFFFAOYSA-N
XLogP2.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate (CID 135451700) is methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2nc(SC)[nH]c(=O)c12.
What is the InChIKey of methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is FTZJFXRJFZOBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-22-15(21)10-8-11(9-6-4-3-5-7-9)17-13-12(10)14(20)19-16(18-13)23-2/h3-8H,1-2H3,(H,17,18,19,20).
What are the key properties of methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 327.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfanyl-4-oxo-7-phenyl-3H-pyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 135451700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).