2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one

C11H12N4O2S — CID 709439

IUPAC2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one
SMILESCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C11H12N4O2S/c1-7-6-9(13-11(12-7)18-3)17-8-4-5-10(16)15(2)14-8/h4-6H,1-3H3
InChIKeyKLSCTCFVDMDBHI-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.39
Rot. Bonds3

About 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one

2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one (PubChem CID 709439) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one
PubChem CID709439
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one
SMILESCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C11H12N4O2S/c1-7-6-9(13-11(12-7)18-3)17-8-4-5-10(16)15(2)14-8/h4-6H,1-3H3
InChIKeyKLSCTCFVDMDBHI-UHFFFAOYSA-N
XLogP1.39
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-Methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide
CID 937707
6-{[2-(ethylsulfanyl)-6-methylpyrimidin-4-yl]oxy}-2-methylpyridazin-3(2H)-one
CID 662406
6-[(2-Chloro-6-methylpyrimidin-4-yl)oxy]pyridazin-3-ol
CID 1714073
3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
CID 660550
6-[(4-Ethoxy-6-methyl-2-pyrimidinyl)oxy]-3-pyridazinol
CID 891080
Ethyl 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetate
CID 936064
6-{[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-ol
CID 709436
2-methyl-6-({4-methyl-6-[(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy]pyrimidin-2-yl}oxy)pyridazin-3(2H)-one
CID 756053
6-((4-methoxy-6-methylpyrimidin-2-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 659885
6-((2-((6-hydroxypyridazin-3-yl)oxy)-6-methylpyrimidin-4-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 662330
(6-methyl-2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 53666752
6-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]-2-propyl-3(2H)-pyridazinone
CID 126477480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one?
The IUPAC name of 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one (CID 709439) is 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one?
The canonical SMILES for 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one is CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one?
The InChIKey is KLSCTCFVDMDBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-6-9(13-11(12-7)18-3)17-8-4-5-10(16)15(2)14-8/h4-6H,1-3H3.
What are the key properties of 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one?
2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one has a molecular weight of 264.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one is sourced from PubChem (CID 709439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).