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

C18H16N4OS2 — CID 133425474

IUPAC3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc2ncnc(Sc3nc4sc(C)c(C)c4c(=O)n3C)c2c1
InChIInChI=1S/C18H16N4OS2/c1-9-5-6-13-12(7-9)15(20-8-19-13)25-18-21-16-14(17(23)22(18)4)10(2)11(3)24-16/h5-8H,1-4H3
InChIKeyOGIWKGMTUOLDFX-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.01
Rot. Bonds2

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

3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 133425474) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID133425474
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc2ncnc(Sc3nc4sc(C)c(C)c4c(=O)n3C)c2c1
InChIInChI=1S/C18H16N4OS2/c1-9-5-6-13-12(7-9)15(20-8-19-13)25-18-21-16-14(17(23)22(18)4)10(2)11(3)24-16/h5-8H,1-4H3
InChIKeyOGIWKGMTUOLDFX-UHFFFAOYSA-N
XLogP4.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
CID 133427777
6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426925
2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 6955930
3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 133416043
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-propylquinazolin-4-one
CID 8000214
4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427019
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
3-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 9251309
3,5,6-trimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 937061
3,5,6-trimethyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 37058747
3-benzyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylquinazolin-4-one
CID 2561852
2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 44726072

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one (CID 133425474) is 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one is Cc1ccc2ncnc(Sc3nc4sc(C)c(C)c4c(=O)n3C)c2c1.
What is the InChIKey of 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is OGIWKGMTUOLDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-9-5-6-13-12(7-9)15(20-8-19-13)25-18-21-16-14(17(23)22(18)4)10(2)11(3)24-16/h5-8H,1-4H3.
What are the key properties of 3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 368.49 g/mol, XLogP of 4.01, 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-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 133425474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).