4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one

C9H11N3O3S — CID 25152215

IUPAC4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one
SMILESNc1[nH]c(=O)nc2sc(CO)c(CCO)c12
InChIInChI=1S/C9H11N3O3S/c10-7-6-4(1-2-13)5(3-14)16-8(6)12-9(15)11-7/h13-14H,1-3H2,(H3,10,11,12,15)
InChIKeyGOTRNYQBAMOTGH-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.41
Rot. Bonds3

About 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one

4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one (PubChem CID 25152215) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one
PubChem CID25152215
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one
SMILESNc1[nH]c(=O)nc2sc(CO)c(CCO)c12
InChIInChI=1S/C9H11N3O3S/c10-7-6-4(1-2-13)5(3-14)16-8(6)12-9(15)11-7/h13-14H,1-3H2,(H3,10,11,12,15)
InChIKeyGOTRNYQBAMOTGH-UHFFFAOYSA-N
XLogP-0.41
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one
CID 25152005
4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
CID 137286206
2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136917806
4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080379
6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione
CID 45092655
4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one
CID 137277391
5,6-diethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid
CID 143679465
6-hexyl-2-(hydroxymethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 13121562
2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055580
6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;phosphoric acid
CID 175506066
4,6-bis(2-hydroxyethyl)-5-[3-methyl-5-(2,4,6-triaminopyrimidin-5-yl)pentyl]-1H-pyrimidin-2-one
CID 118018104
ethyl 5-methyl-4-oxo-6-pentyl-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 13194302

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one (CID 25152215) is 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one is Nc1[nH]c(=O)nc2sc(CO)c(CCO)c12.
What is the InChIKey of 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one?
The InChIKey is GOTRNYQBAMOTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-7-6-4(1-2-13)5(3-14)16-8(6)12-9(15)11-7/h13-14H,1-3H2,(H3,10,11,12,15).
What are the key properties of 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one?
4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one has a molecular weight of 241.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 25152215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).