6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one

C15H20N2O2S — CID 110832674

IUPAC6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2sc(CC)cc2c(=O)n1CCC(C)=O
InChIInChI=1S/C15H20N2O2S/c1-4-6-13-16-14-12(9-11(5-2)20-14)15(19)17(13)8-7-10(3)18/h9H,4-8H2,1-3H3
InChIKeyKMZXKWNUKKXKJP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds6

About 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one

6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 110832674) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID110832674
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2sc(CC)cc2c(=O)n1CCC(C)=O
InChIInChI=1S/C15H20N2O2S/c1-4-6-13-16-14-12(9-11(5-2)20-14)15(19)17(13)8-7-10(3)18/h9H,4-8H2,1-3H3
InChIKeyKMZXKWNUKKXKJP-UHFFFAOYSA-N
XLogP2.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-ethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)ethanethioamide
CID 39158848
3-[2-[(3-chlorophenyl)methyl]-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28900345
3-[3-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoic acid
CID 82032938
2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
CID 7174412
N-butyl-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 28692371
3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
CID 6421611
2-(2-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethanethioamide
CID 39158874
3-[[2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-methylamino]propanoic acid
CID 82032691
3-[6-methyl-5-(4-methylphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28900247
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 42899438
6-ethyl-2-(2-hydroxyethylsulfanyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 17446128
5-[(6-ethyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895870

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one (CID 110832674) is 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one is CCCc1nc2sc(CC)cc2c(=O)n1CCC(C)=O.
What is the InChIKey of 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KMZXKWNUKKXKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-6-13-16-14-12(9-11(5-2)20-14)15(19)17(13)8-7-10(3)18/h9H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110832674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).