2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one

C15H14N6O4 — CID 756053

IUPAC2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C15H14N6O4/c1-9-8-12(24-10-4-6-13(22)20(2)18-10)17-15(16-9)25-11-5-7-14(23)21(3)19-11/h4-8H,1-3H3
InChIKeyGACMZPTUKAAUPN-UHFFFAOYSA-N
MW342.32 g/mol
LogP0.56
Rot. Bonds4

About 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one

2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one (PubChem CID 756053) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one
PubChem CID756053
Molecular FormulaC15H14N6O4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC Name2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)n(C)n2)n1
InChIInChI=1S/C15H14N6O4/c1-9-8-12(24-10-4-6-13(22)20(2)18-10)17-15(16-9)25-11-5-7-14(23)21(3)19-11/h4-8H,1-3H3
InChIKeyGACMZPTUKAAUPN-UHFFFAOYSA-N
XLogP0.56
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
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-[(3S)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 129564521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one?
The IUPAC name of 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one (CID 756053) is 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one?
The canonical SMILES for 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one is Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)n(C)n2)n1.
What is the InChIKey of 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one?
The InChIKey is GACMZPTUKAAUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4/c1-9-8-12(24-10-4-6-13(22)20(2)18-10)17-15(16-9)25-11-5-7-14(23)21(3)19-11/h4-8H,1-3H3.
What are the key properties of 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one?
2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one has a molecular weight of 342.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-methyl-2-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-4-yl]oxypyridazin-3-one is sourced from PubChem (CID 756053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).