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

C12H13N5O3S — CID 937707

IUPAC2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(SCC(N)=O)n1
InChIInChI=1S/C12H13N5O3S/c1-7-5-10(15-12(14-7)21-6-8(13)18)20-9-3-4-11(19)17(2)16-9/h3-5H,6H2,1-2H3,(H2,13,18)
InChIKeyFBYUYSUFPPVSFZ-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.25
Rot. Bonds5

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

2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide (PubChem CID 937707) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide
PubChem CID937707
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(Oc2ccc(=O)n(C)n2)nc(SCC(N)=O)n1
InChIInChI=1S/C12H13N5O3S/c1-7-5-10(15-12(14-7)21-6-8(13)18)20-9-3-4-11(19)17(2)16-9/h3-5H,6H2,1-2H3,(H2,13,18)
InChIKeyFBYUYSUFPPVSFZ-UHFFFAOYSA-N
XLogP0.25
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-[(4-Methoxy-6-methylpyrimidin-2-yl)thio]acetamide
CID 3239009
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide (CID 937707) is 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide is Cc1cc(Oc2ccc(=O)n(C)n2)nc(SCC(N)=O)n1.
What is the InChIKey of 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide?
The InChIKey is FBYUYSUFPPVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-7-5-10(15-12(14-7)21-6-8(13)18)20-9-3-4-11(19)17(2)16-9/h3-5H,6H2,1-2H3,(H2,13,18).
What are the key properties of 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide?
2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide has a molecular weight of 307.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 937707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).