3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one

C10H12N2O3S — CID 39754273

IUPAC3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCOCCO
InChIInChI=1S/C10H12N2O3S/c13-3-5-15-4-2-12-7-11-8-1-6-16-9(8)10(12)14/h1,6-7,13H,2-5H2
InChIKeyCTHDMAKWAPQDGW-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.47
Rot. Bonds5

About 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 39754273) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID39754273
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCOCCO
InChIInChI=1S/C10H12N2O3S/c13-3-5-15-4-2-12-7-11-8-1-6-16-9(8)10(12)14/h1,6-7,13H,2-5H2
InChIKeyCTHDMAKWAPQDGW-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one (CID 39754273) is 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CTHDMAKWAPQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-3-5-15-4-2-12-7-11-8-1-6-16-9(8)10(12)14/h1,6-7,13H,2-5H2.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 240.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39754273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).