5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one

C14H10N2O3S — CID 2295026

IUPAC5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2scc([C@@H]3COc4ccccc4O3)c12
InChIInChI=1S/C14H10N2O3S/c17-13-12-8(6-20-14(12)16-7-15-13)11-5-18-9-3-1-2-4-10(9)19-11/h1-4,6-7,11H,5H2,(H,15,16,17)/t11-/m0/s1
InChIKeyBFZJGFQSMYAJRC-NSHDSACASA-N
MW286.31 g/mol
LogP2.50
Rot. Bonds1

About 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one

5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2295026) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2295026
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2scc([C@@H]3COc4ccccc4O3)c12
InChIInChI=1S/C14H10N2O3S/c17-13-12-8(6-20-14(12)16-7-15-13)11-5-18-9-3-1-2-4-10(9)19-11/h1-4,6-7,11H,5H2,(H,15,16,17)/t11-/m0/s1
InChIKeyBFZJGFQSMYAJRC-NSHDSACASA-N
XLogP2.50
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 2295026) is 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2scc([C@@H]3COc4ccccc4O3)c12.
What is the InChIKey of 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BFZJGFQSMYAJRC-NSHDSACASA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-13-12-8(6-20-14(12)16-7-15-13)11-5-18-9-3-1-2-4-10(9)19-11/h1-4,6-7,11H,5H2,(H,15,16,17)/t11-/m0/s1.
What are the key properties of 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2295026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).