2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one

C14H12N6O4 — CID 662330

IUPAC2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C14H12N6O4/c1-8-7-12(23-11-5-6-13(22)20(2)19-11)16-14(15-8)24-10-4-3-9(21)17-18-10/h3-7H,1-2H3,(H,17,21)
InChIKeyXWNPHACGMRWCAZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP0.55
Rot. Bonds4

About 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one

2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one (PubChem CID 662330) has the molecular formula C14H12N6O4 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one
PubChem CID662330
Molecular FormulaC14H12N6O4
Molecular Weight328.29 g/mol
Exact Mass328.09
IUPAC Name2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C14H12N6O4/c1-8-7-12(23-11-5-6-13(22)20(2)19-11)16-14(15-8)24-10-4-3-9(21)17-18-10/h3-7H,1-2H3,(H,17,21)
InChIKeyXWNPHACGMRWCAZ-UHFFFAOYSA-N
XLogP0.55
TPSA124.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one with MolForge

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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
2-Methyl-6-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxypyridazin-3-one
CID 709439
6-[(2-chloro-6-methyl-4-pyrimidinyl)oxy]-2-propyl-3(2H)-pyridazinone
CID 126477480
Methyl ({4-methyl-6-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)oxy]-2-pyrimidinyl}thio)acetate
CID 889440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one?
The IUPAC name of 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one (CID 662330) is 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one?
The canonical SMILES for 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one is Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one?
The InChIKey is XWNPHACGMRWCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O4/c1-8-7-12(23-11-5-6-13(22)20(2)19-11)16-14(15-8)24-10-4-3-9(21)17-18-10/h3-7H,1-2H3,(H,17,21).
What are the key properties of 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one?
2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one has a molecular weight of 328.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-methyl-2-[(6-oxo-1H-pyridazin-3-yl)oxy]pyrimidin-4-yl]oxypyridazin-3-one is sourced from PubChem (CID 662330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).