1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione

C12H14N2O3S — CID 112750606

IUPAC1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC2CCCO2)c2ccsc12
InChIInChI=1S/C12H14N2O3S/c15-11-10-9(4-7-18-10)14(12(16)13-11)5-3-8-2-1-6-17-8/h4,7-8H,1-3,5-6H2,(H,13,15,16)
InChIKeyZXXCDBTZKGGLJB-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.32
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione

1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 112750606) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID112750606
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC2CCCO2)c2ccsc12
InChIInChI=1S/C12H14N2O3S/c15-11-10-9(4-7-18-10)14(12(16)13-11)5-3-8-2-1-6-17-8/h4,7-8H,1-3,5-6H2,(H,13,15,16)
InChIKeyZXXCDBTZKGGLJB-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxy-3-methylbutyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 112750493
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 18592388
2-[[[(2S)-oxolan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136822029
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83253136
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 6486383
5-methyl-3-[2-(oxolan-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 86806014
(5R)-5-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 99827374

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 112750606) is 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCC2CCCO2)c2ccsc12.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZXXCDBTZKGGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-11-10-9(4-7-18-10)14(12(16)13-11)5-3-8-2-1-6-17-8/h4,7-8H,1-3,5-6H2,(H,13,15,16).
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione?
1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 266.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 112750606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).