2,3-dimethylthieno[3,4-d]pyrimidin-4-one

C8H8N2OS — CID 59961683

IUPAC2,3-dimethylthieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2cscc2c(=O)n1C
InChIInChI=1S/C8H8N2OS/c1-5-9-7-4-12-3-6(7)8(11)10(5)2/h3-4H,1-2H3
InChIKeyJLQGJWYXWCYSCZ-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.30
Rot. Bonds

About 2,3-dimethylthieno[3,4-d]pyrimidin-4-one

2,3-dimethylthieno[3,4-d]pyrimidin-4-one (PubChem CID 59961683) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2,3-dimethylthieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethylthieno[3,4-d]pyrimidin-4-one
PubChem CID59961683
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2,3-dimethylthieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2cscc2c(=O)n1C
InChIInChI=1S/C8H8N2OS/c1-5-9-7-4-12-3-6(7)8(11)10(5)2/h3-4H,1-2H3
InChIKeyJLQGJWYXWCYSCZ-UHFFFAOYSA-N
XLogP1.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one
CID 20800098
2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one
CID 59961681
2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
CID 123402793
6-fluoro-2,3,8-trimethylquinazolin-4-one
CID 90253866
ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
CID 170904363
2,3,5-trimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 166152799
2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one
CID 20799410
8-acetyl-2,3,6-trimethylquinazolin-4-one
CID 169155169
7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one
CID 163794174
2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one
CID 166312387

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylthieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethylthieno[3,4-d]pyrimidin-4-one (CID 59961683) is 2,3-dimethylthieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethylthieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethylthieno[3,4-d]pyrimidin-4-one is Cc1nc2cscc2c(=O)n1C.
What is the InChIKey of 2,3-dimethylthieno[3,4-d]pyrimidin-4-one?
The InChIKey is JLQGJWYXWCYSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-9-7-4-12-3-6(7)8(11)10(5)2/h3-4H,1-2H3.
What are the key properties of 2,3-dimethylthieno[3,4-d]pyrimidin-4-one?
2,3-dimethylthieno[3,4-d]pyrimidin-4-one has a molecular weight of 180.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylthieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 59961683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).