6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane

C13H17F2N3O2S — CID 177155768

IUPAC6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane
SMILESCC.CSc1ncc2cc(COC(F)F)c(=O)n(C)c2n1
InChIInChI=1S/C11H11F2N3O2S.C2H6/c1-16-8-6(4-14-11(15-8)19-2)3-7(9(16)17)5-18-10(12)13;1-2/h3-4,10H,5H2,1-2H3;1-2H3
InChIKeyVQTTZBMCEMNZGE-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.82
Rot. Bonds4

About 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane

6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane (PubChem CID 177155768) has the molecular formula C13H17F2N3O2S and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane.

Molecular Properties

Compound Name6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane
PubChem CID177155768
Molecular FormulaC13H17F2N3O2S
Molecular Weight317.36 g/mol
Exact Mass317.10
IUPAC Name6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane
SMILESCC.CSc1ncc2cc(COC(F)F)c(=O)n(C)c2n1
InChIInChI=1S/C11H11F2N3O2S.C2H6/c1-16-8-6(4-14-11(15-8)19-2)3-7(9(16)17)5-18-10(12)13;1-2/h3-4,10H,5H2,1-2H3;1-2H3
InChIKeyVQTTZBMCEMNZGE-UHFFFAOYSA-N
XLogP2.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135381338
(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
CID 11348177
6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 137491286
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
6-(benzenesulfonyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 70895722
8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfanyl]propyl]-6-(ethoxymethyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 164926192
6-(2,6-difluorophenoxy)-8-methyl-2-methylperoxysulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluorophenoxy)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 158804346
8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]-6-(ethoxymethyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 164925555
6-(difluoromethoxy)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 167214138
6-bromo-8-(2-methylpropoxy)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 154553037
tert-butyl 8-methyl-4-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2,3-dihydroquinoxaline-1-carboxylate
CID 169232625
N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 68801904

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane?
The IUPAC name of 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane (CID 177155768) is 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane.
What is the SMILES notation for 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane?
The canonical SMILES for 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane is CC.CSc1ncc2cc(COC(F)F)c(=O)n(C)c2n1.
What is the InChIKey of 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane?
The InChIKey is VQTTZBMCEMNZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S.C2H6/c1-16-8-6(4-14-11(15-8)19-2)3-7(9(16)17)5-18-10(12)13;1-2/h3-4,10H,5H2,1-2H3;1-2H3.
What are the key properties of 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane?
6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane has a molecular weight of 317.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane is sourced from PubChem (CID 177155768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).