3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one

C10H10N4O3 — CID 660550

IUPAC3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
SMILESCOc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C10H10N4O3/c1-6-5-9(16-2)12-10(11-6)17-8-4-3-7(15)13-14-8/h3-5H,1-2H3,(H,13,15)
InChIKeyLXQIJWZAJIBDQZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.67
Rot. Bonds3

About 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one

3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one (PubChem CID 660550) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
PubChem CID660550
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
SMILESCOc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C10H10N4O3/c1-6-5-9(16-2)12-10(11-6)17-8-4-3-7(15)13-14-8/h3-5H,1-2H3,(H,13,15)
InChIKeyLXQIJWZAJIBDQZ-UHFFFAOYSA-N
XLogP0.67
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.67
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
2-Hydrazinyl-4-methoxy-6-methylpyrimidine
CID 870741
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
6-[(4-Ethoxy-6-methyl-2-pyrimidinyl)oxy]-3-pyridazinol
CID 891080
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
2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one
CID 131875358

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one (CID 660550) is 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one is COc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
The InChIKey is LXQIJWZAJIBDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-5-9(16-2)12-10(11-6)17-8-4-3-7(15)13-14-8/h3-5H,1-2H3,(H,13,15).
What are the key properties of 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one has a molecular weight of 234.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one is sourced from PubChem (CID 660550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).