3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one

C9H8N2OS — CID 118286876

IUPAC3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESC=Cn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C9H8N2OS/c1-3-11-5-10-8-7(9(11)12)4-6(2)13-8/h3-5H,1H2,2H3
InChIKeyWOPBJHLADDGOQC-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.87
Rot. Bonds1

About 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one

3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 118286876) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID118286876
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESC=Cn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C9H8N2OS/c1-3-11-5-10-8-7(9(11)12)4-6(2)13-8/h3-5H,1H2,2H3
InChIKeyWOPBJHLADDGOQC-UHFFFAOYSA-N
XLogP1.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 144895692
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39760848
3-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 166301450
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 82147197
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39826511
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812
3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164887
2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164915
3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715237
3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715236

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one (CID 118286876) is 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one is C=Cn1cnc2sc(C)cc2c1=O.
What is the InChIKey of 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is WOPBJHLADDGOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-3-11-5-10-8-7(9(11)12)4-6(2)13-8/h3-5H,1H2,2H3.
What are the key properties of 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one?
3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 192.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 118286876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).