3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione

C9H8N2O3S — CID 67200450

IUPAC3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESC=CCOn1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C9H8N2O3S/c1-2-4-14-11-8(12)7-6(3-5-15-7)10-9(11)13/h2-3,5H,1,4H2,(H,10,13)
InChIKeyVAWIMIZHYBOJCY-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.37
Rot. Bonds3

About 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 67200450) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID67200450
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESC=CCOn1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C9H8N2O3S/c1-2-4-14-11-8(12)7-6(3-5-15-7)10-9(11)13/h2-3,5H,1,4H2,(H,10,13)
InChIKeyVAWIMIZHYBOJCY-UHFFFAOYSA-N
XLogP0.37
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-tert-Butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11622825
Fen1-IN-6
CID 11681369
5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide
CID 16195422
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
3-(2-Hydroxyethyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 2732863
3-(4-fluorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3241221
N-(2-acetamidoethyl)-4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide
CID 15987973
3-(6-oxo-6-piperidin-1-ylhexyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3237554
6-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(thien-2-ylmethyl)hexanamide
CID 3240829
4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(thien-2-ylmethyl)butanamide
CID 3243632
3-(4-oxo-4-piperidin-1-ylbutyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3245040
5-Oxo-1-thioxo-4,5-dihydro[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidine-3-carboxamide
CID 3511756

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 67200450) is 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is C=CCOn1c(=O)[nH]c2ccsc2c1=O.
What is the InChIKey of 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is VAWIMIZHYBOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-2-4-14-11-8(12)7-6(3-5-15-7)10-9(11)13/h2-3,5H,1,4H2,(H,10,13).
What are the key properties of 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 224.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67200450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).