3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one

C14H11F3N4OS2 — CID 133416043

IUPAC3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Sc3ccc(C(F)(F)F)nn3)n(C)c(=O)c2c1C
InChIInChI=1S/C14H11F3N4OS2/c1-6-7(2)23-11-10(6)12(22)21(3)13(18-11)24-9-5-4-8(19-20-9)14(15,16)17/h4-5H,1-3H3
InChIKeyAUWQLOPXFOUOKO-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.57
Rot. Bonds2

About 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one

3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 133416043) has the molecular formula C14H11F3N4OS2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID133416043
Molecular FormulaC14H11F3N4OS2
Molecular Weight372.40 g/mol
Exact Mass372.03
IUPAC Name3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Sc3ccc(C(F)(F)F)nn3)n(C)c(=O)c2c1C
InChIInChI=1S/C14H11F3N4OS2/c1-6-7(2)23-11-10(6)12(22)21(3)13(18-11)24-9-5-4-8(19-20-9)14(15,16)17/h4-5H,1-3H3
InChIKeyAUWQLOPXFOUOKO-UHFFFAOYSA-N
XLogP3.57
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 133425470
2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 6955930
3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 133425474
3,5,6-trimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 937061
3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133432792
2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 55309369
2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 44726072
N-methyl-N-phenyl-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2642310
3,5,6-trimethyl-2-[1-(3-nitrophenyl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 46623436
N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 37058954
3,5,6-trimethyl-2-(2-oxocycloheptyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 43055098
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 46821795

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one (CID 133416043) is 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(Sc3ccc(C(F)(F)F)nn3)n(C)c(=O)c2c1C.
What is the InChIKey of 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is AUWQLOPXFOUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4OS2/c1-6-7(2)23-11-10(6)12(22)21(3)13(18-11)24-9-5-4-8(19-20-9)14(15,16)17/h4-5H,1-3H3.
What are the key properties of 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 372.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 133416043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).