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

C10H11N5O2 — CID 890777

IUPAC6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(N)n1
InChIInChI=1S/C10H11N5O2/c1-6-5-8(13-10(11)12-6)17-7-3-4-9(16)15(2)14-7/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyNEMDBVVHUOBODL-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.25
Rot. Bonds2

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

6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one (PubChem CID 890777) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one
PubChem CID890777
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(N)n1
InChIInChI=1S/C10H11N5O2/c1-6-5-8(13-10(11)12-6)17-7-3-4-9(16)15(2)14-7/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyNEMDBVVHUOBODL-UHFFFAOYSA-N
XLogP0.25
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
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-({4-methyl-6-[(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy]pyrimidin-2-yl}oxy)pyridazin-3(2H)-one
CID 756053
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
The IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one (CID 890777) is 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one is Cc1cc(Oc2ccc(=O)n(C)n2)nc(N)n1.
What is the InChIKey of 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
The InChIKey is NEMDBVVHUOBODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6-5-8(13-10(11)12-6)17-7-3-4-9(16)15(2)14-7/h3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one?
6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one has a molecular weight of 233.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-methylpyrimidin-4-yl)oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 890777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).