6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one

C12H14N4O2S — CID 662406

IUPAC6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one
SMILESCCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C12H14N4O2S/c1-4-19-12-13-8(2)7-10(14-12)18-9-5-6-11(17)16(3)15-9/h5-7H,4H2,1-3H3
InChIKeyDJGAAISZGPJIOO-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.78
Rot. Bonds4

About 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one

6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one (PubChem CID 662406) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one
PubChem CID662406
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one
SMILESCCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C12H14N4O2S/c1-4-19-12-13-8(2)7-10(14-12)18-9-5-6-11(17)16(3)15-9/h5-7H,4H2,1-3H3
InChIKeyDJGAAISZGPJIOO-UHFFFAOYSA-N
XLogP1.78
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.78
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-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 ({4-methyl-6-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)oxy]-2-pyrimidinyl}thio)acetate
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
2-Methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one
CID 709439
6-((2-((6-hydroxypyridazin-3-yl)oxy)-6-methylpyrimidin-4-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 662330
6-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]-2-propyl-3(2H)-pyridazinone
CID 126477480
4-Allyloxy-2-allylsulfanyl-6-methylpyrimidine
CID 16059712

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
The IUPAC name of 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one (CID 662406) is 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one is CCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
The InChIKey is DJGAAISZGPJIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-4-19-12-13-8(2)7-10(14-12)18-9-5-6-11(17)16(3)15-9/h5-7H,4H2,1-3H3.
What are the key properties of 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one has a molecular weight of 278.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 662406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).