methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate

C18H17N3O3S — CID 142184859

IUPACmethyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1nc2nc(S(C)=O)ncc2cc1-c1c(C)cccc1C
InChIInChI=1S/C18H17N3O3S/c1-10-6-5-7-11(2)14(10)13-8-12-9-19-18(25(4)23)21-16(12)20-15(13)17(22)24-3/h5-9H,1-4H3
InChIKeyNICGOMLWYALFMF-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.83
Rot. Bonds3

About methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate

methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 142184859) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID142184859
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Namemethyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1nc2nc(S(C)=O)ncc2cc1-c1c(C)cccc1C
InChIInChI=1S/C18H17N3O3S/c1-10-6-5-7-11(2)14(10)13-8-12-9-19-18(25(4)23)21-16(12)20-15(13)17(22)24-3/h5-9H,1-4H3
InChIKeyNICGOMLWYALFMF-UHFFFAOYSA-N
XLogP2.83
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[2-chloro-6-(1λ3-iodiran-1-yl)phenyl]-2-methylsulfanylpyrido[2,3-d]pyrimidine-7-carboxylate
CID 163997233
methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
CID 166844850
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422349
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
CID 145450244
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205
methyl 5-amino-2-(2-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199605
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953679
methyl 3-chloro-1,8-naphthyridine-2-carboxylate
CID 174912004
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate (CID 142184859) is methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate is COC(=O)c1nc2nc(S(C)=O)ncc2cc1-c1c(C)cccc1C.
What is the InChIKey of methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is NICGOMLWYALFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-10-6-5-7-11(2)14(10)13-8-12-9-19-18(25(4)23)21-16(12)20-15(13)17(22)24-3/h5-9H,1-4H3.
What are the key properties of methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate?
methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-dimethylphenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 142184859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).