3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C8H8N2O3S — CID 2732863

IUPAC3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1CCO
InChIInChI=1S/C8H8N2O3S/c11-3-2-10-7(12)6-5(1-4-14-6)9-8(10)13/h1,4,11H,2-3H2,(H,9,13)
InChIKeyOYYCHJJSVIVXSZ-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.26
Rot. Bonds2

About 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 2732863) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID2732863
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1CCO
InChIInChI=1S/C8H8N2O3S/c11-3-2-10-7(12)6-5(1-4-14-6)9-8(10)13/h1,4,11H,2-3H2,(H,9,13)
InChIKeyOYYCHJJSVIVXSZ-UHFFFAOYSA-N
XLogP-0.26
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 2732863) is 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2ccsc2c(=O)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OYYCHJJSVIVXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-3-2-10-7(12)6-5(1-4-14-6)9-8(10)13/h1,4,11H,2-3H2,(H,9,13).
What are the key properties of 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 212.23 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2732863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).