[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate

C11H14N2O3S — CID 139993843

IUPAC[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(O[C@H]1CCOC1)c1cc2c(s1)NCNC2
InChIInChI=1S/C11H14N2O3S/c14-11(16-8-1-2-15-5-8)9-3-7-4-12-6-13-10(7)17-9/h3,8,12-13H,1-2,4-6H2/t8-/m0/s1
InChIKeyXUMZYBSTERUIGQ-QMMMGPOBSA-N
MW254.31 g/mol
LogP1.17
Rot. Bonds2

About [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate

[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 139993843) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID139993843
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(O[C@H]1CCOC1)c1cc2c(s1)NCNC2
InChIInChI=1S/C11H14N2O3S/c14-11(16-8-1-2-15-5-8)9-3-7-4-12-6-13-10(7)17-9/h3,8,12-13H,1-2,4-6H2/t8-/m0/s1
InChIKeyXUMZYBSTERUIGQ-QMMMGPOBSA-N
XLogP1.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Fluorophenyl)methyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 142851214
Methyl 2-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]-5-methylthiophene-3-carboxylate
CID 1295102
Ethyl 3-methyl-5-(oxolan-2-ylmethylcarbamothioylamino)thiophene-2-carboxylate
CID 4578460
Benzyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 69806753
3-methoxy-2,4-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69809730
1-Methyl-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69966652
ethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 90769145
cyclobutylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 90839167
1-(diethylamino)propan-2-yl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 90865095
1,2,3,4-Tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 90873742
butyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 90939078
oxolan-2-ylmethyl 4-oxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 91026797

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate (CID 139993843) is [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate is O=C(O[C@H]1CCOC1)c1cc2c(s1)NCNC2.
What is the InChIKey of [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is XUMZYBSTERUIGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-11(16-8-1-2-15-5-8)9-3-7-4-12-6-13-10(7)17-9/h3,8,12-13H,1-2,4-6H2/t8-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 139993843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).