6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one

C12H13N3O2S — CID 134202274

IUPAC6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n(C)c(SC)n2)cn1
InChIInChI=1S/C12H13N3O2S/c1-15-11(16)6-9(14-12(15)18-3)8-4-5-10(17-2)13-7-8/h4-7H,1-3H3
InChIKeyZUUJBFSISMMKIJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.57
Rot. Bonds3

About 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one

6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one (PubChem CID 134202274) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one
PubChem CID134202274
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n(C)c(SC)n2)cn1
InChIInChI=1S/C12H13N3O2S/c1-15-11(16)6-9(14-12(15)18-3)8-4-5-10(17-2)13-7-8/h4-7H,1-3H3
InChIKeyZUUJBFSISMMKIJ-UHFFFAOYSA-N
XLogP1.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-2-(allylthio)-3-(4-methoxyphenyl)-5-(pyridin-3-ylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 12004752
3-(3-Methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7162459
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27023607
5-Fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one
CID 91651678
3-[(2-Methoxypyridin-3-yl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535535
5-Chloro-6-(2-methoxypyridin-3-YL)-2-methylpyrimidin-4-OL
CID 137025373
2-Ethylsulfanyl-6-(6-methoxypyridin-3-yl)-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-one
CID 68027673
7-fluoro-2-(5-fluoro-6-methoxypyridin-3-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 89739520
2-(5-Fluoro-6-methoxy-3-pyridinyl)-7-[pentyl(propyl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 142511458
5-Fluoro-3-[(2-methoxy-6-methylpyridin-3-yl)methyl]-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-one
CID 155319851
5-Fluoro-3-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 155321235
5-Fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-6-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-one
CID 155328219

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one (CID 134202274) is 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one is COc1ccc(-c2cc(=O)n(C)c(SC)n2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one?
The InChIKey is ZUUJBFSISMMKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-15-11(16)6-9(14-12(15)18-3)8-4-5-10(17-2)13-7-8/h4-7H,1-3H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one?
6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one has a molecular weight of 263.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-3-methyl-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 134202274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).