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

C11H12N4O3 — CID 659885

IUPAC6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one
SMILESCOc1cc(C)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C11H12N4O3/c1-7-6-9(17-3)13-11(12-7)18-8-4-5-10(16)15(2)14-8/h4-6H,1-3H3
InChIKeyNLQJDSBTDOJRJT-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.68
Rot. Bonds3

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

6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one (PubChem CID 659885) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one
PubChem CID659885
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one
SMILESCOc1cc(C)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C11H12N4O3/c1-7-6-9(17-3)13-11(12-7)18-8-4-5-10(16)15(2)14-8/h4-6H,1-3H3
InChIKeyNLQJDSBTDOJRJT-UHFFFAOYSA-N
XLogP0.68
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.68
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 ({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-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one
CID 756053
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
2-Methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one
CID 709439
2-(Dimethylamino)-6-methylpyrimidin-4-yl dimethylcarbamate
CID 14054371
6-((2-((6-hydroxypyridazin-3-yl)oxy)-6-methylpyrimidin-4-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 662330

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one?
The IUPAC name of 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one (CID 659885) is 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one is COc1cc(C)nc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one?
The InChIKey is NLQJDSBTDOJRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-6-9(17-3)13-11(12-7)18-8-4-5-10(16)15(2)14-8/h4-6H,1-3H3.
What are the key properties of 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one?
6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one has a molecular weight of 248.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 659885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).