2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one

C10H12N2OS — CID 59961681

IUPAC2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one
SMILESCc1sc(C)c2c(=O)n(C)c(C)nc12
InChIInChI=1S/C10H12N2OS/c1-5-8-9(6(2)14-5)11-7(3)12(4)10(8)13/h1-4H3
InChIKeyLVAMRJJGSPXIOU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.92
Rot. Bonds

About 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one

2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one (PubChem CID 59961681) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one
PubChem CID59961681
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one
SMILESCc1sc(C)c2c(=O)n(C)c(C)nc12
InChIInChI=1S/C10H12N2OS/c1-5-8-9(6(2)14-5)11-7(3)12(4)10(8)13/h1-4H3
InChIKeyLVAMRJJGSPXIOU-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethylthieno[3,4-d]pyrimidin-4-one
CID 59961683
2-(chloromethyl)-5,10-dimethoxy-3,7,8-trimethylpyrimido[4,5-g]quinazoline-4,9-dione
CID 10473996
2,3,5,7-tetramethylpyrido[2,3-d]pyrimidin-4-one
CID 12910050
2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
CID 10015048
2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 44726072
6-fluoro-2,3,8-trimethylquinazolin-4-one
CID 90253866
1,2,9-trimethylpurin-6-one
CID 59886903
10,11-dimethyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carboxylic acid
CID 82025573
5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
CID 83820734
1-methylaziridine-2,3-dione;hydrochloride
CID 172854973
2-(7-ethoxycarbonyl-2,5-dimethyl-4-oxothieno[3,4-d]pyrimidin-3-yl)acetic acid
CID 715587
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one (CID 59961681) is 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one is Cc1sc(C)c2c(=O)n(C)c(C)nc12.
What is the InChIKey of 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one?
The InChIKey is LVAMRJJGSPXIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-5-8-9(6(2)14-5)11-7(3)12(4)10(8)13/h1-4H3.
What are the key properties of 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one?
2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one has a molecular weight of 208.29 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 59961681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).