6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

C8H8N2OS — CID 645569

IUPAC6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]cnc2s1
InChIInChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyGXZAQJCUXCKYKB-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.55
Rot. Bonds1

About 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 645569) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID645569
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]cnc2s1
InChIInChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyGXZAQJCUXCKYKB-UHFFFAOYSA-N
XLogP1.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-Tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
CID 98614
5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 665387
1,5,6,7-Tetrahydro-4H-cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one
CID 203420
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-
CID 218061
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 403053
6-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 735018
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
2-amino-6-ethyl-5-(4-fluorophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221146
2-amino-6-ethyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221343

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 645569) is 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]cnc2s1.
What is the InChIKey of 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GXZAQJCUXCKYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11).
What are the key properties of 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 180.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 645569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).