oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

C12H14N2O4S — CID 91026797

IUPACoxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OCC1CCCO1)c1cc2c(s1)NCNC2=O
InChIInChI=1S/C12H14N2O4S/c15-10-8-4-9(19-11(8)14-6-13-10)12(16)18-5-7-2-1-3-17-7/h4,7,14H,1-3,5-6H2,(H,13,15)
InChIKeyLCXCOTKDVLIFAK-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.20
Rot. Bonds3

About oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91026797) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID91026797
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Nameoxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OCC1CCCO1)c1cc2c(s1)NCNC2=O
InChIInChI=1S/C12H14N2O4S/c15-10-8-4-9(19-11(8)14-6-13-10)12(16)18-5-7-2-1-3-17-7/h4,7,14H,1-3,5-6H2,(H,13,15)
InChIKeyLCXCOTKDVLIFAK-UHFFFAOYSA-N
XLogP1.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate 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 oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 91026797) is oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate is O=C(OCC1CCCO1)c1cc2c(s1)NCNC2=O.
What is the InChIKey of oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is LCXCOTKDVLIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-10-8-4-9(19-11(8)14-6-13-10)12(16)18-5-7-2-1-3-17-7/h4,7,14H,1-3,5-6H2,(H,13,15).
What are the key properties of oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate?
oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91026797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).