3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one

C10H10N4O2S — CID 709436

IUPAC3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one
SMILESCSc1nc(C)cc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C10H10N4O2S/c1-6-5-9(12-10(11-6)17-2)16-8-4-3-7(15)13-14-8/h3-5H,1-2H3,(H,13,15)
InChIKeyDSMSLNJWZREQSY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.38
Rot. Bonds3

About 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one

3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one (PubChem CID 709436) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one
PubChem CID709436
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one
SMILESCSc1nc(C)cc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C10H10N4O2S/c1-6-5-9(12-10(11-6)17-2)16-8-4-3-7(15)13-14-8/h3-5H,1-2H3,(H,13,15)
InChIKeyDSMSLNJWZREQSY-UHFFFAOYSA-N
XLogP1.38
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-[(4-Methoxy-6-methylpyrimidin-2-yl)thio]acetamide
CID 3239009
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

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one?
The IUPAC name of 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one (CID 709436) is 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one.
What is the SMILES notation for 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one?
The canonical SMILES for 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one is CSc1nc(C)cc(Oc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one?
The InChIKey is DSMSLNJWZREQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-5-9(12-10(11-6)17-2)16-8-4-3-7(15)13-14-8/h3-5H,1-2H3,(H,13,15).
What are the key properties of 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one?
3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one has a molecular weight of 250.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1H-pyridazin-6-one is sourced from PubChem (CID 709436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).