3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

C9H10N2O3S — CID 2732862

IUPAC3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1csc2c(=O)n(CCO)c(=O)[nH]c12
InChIInChI=1S/C9H10N2O3S/c1-5-4-15-7-6(5)10-9(14)11(2-3-12)8(7)13/h4,12H,2-3H2,1H3,(H,10,14)
InChIKeyOVUMRFNNKLCWIR-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.05
Rot. Bonds2

About 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 2732862) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID2732862
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1csc2c(=O)n(CCO)c(=O)[nH]c12
InChIInChI=1S/C9H10N2O3S/c1-5-4-15-7-6(5)10-9(14)11(2-3-12)8(7)13/h4,12H,2-3H2,1H3,(H,10,14)
InChIKeyOVUMRFNNKLCWIR-UHFFFAOYSA-N
XLogP0.05
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 2732862) is 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1csc2c(=O)n(CCO)c(=O)[nH]c12.
What is the InChIKey of 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OVUMRFNNKLCWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5-4-15-7-6(5)10-9(14)11(2-3-12)8(7)13/h4,12H,2-3H2,1H3,(H,10,14).
What are the key properties of 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 226.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2732862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).