methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate

C10H10N2O3S — CID 18516114

IUPACmethyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
SMILESCCc1cc2c(=O)[nH]c(C(=O)OC)nc2s1
InChIInChI=1S/C10H10N2O3S/c1-3-5-4-6-8(13)11-7(10(14)15-2)12-9(6)16-5/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyLXNHWLIAOQEJLN-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.33
Rot. Bonds2

About methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate

methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate (PubChem CID 18516114) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
PubChem CID18516114
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Namemethyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
SMILESCCc1cc2c(=O)[nH]c(C(=O)OC)nc2s1
InChIInChI=1S/C10H10N2O3S/c1-3-5-4-6-8(13)11-7(10(14)15-2)12-9(6)16-5/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyLXNHWLIAOQEJLN-UHFFFAOYSA-N
XLogP1.33
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate
CID 49268432
2-[(1R)-1-chloroethyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93213420
2-(2,2-dimethylpropyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 165482803
6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46863185
6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141917
2-(2,6-difluorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889445
2-(3-aminopropylsulfanyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146503
2-(1,4-diazepan-1-yl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82057606
6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141970
6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 71938784
2-(2-amino-2-ethylbutyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 94751732
2-[2-(2-aminoethoxy)ethylsulfanyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146862

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate?
The IUPAC name of methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate (CID 18516114) is methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate is CCc1cc2c(=O)[nH]c(C(=O)OC)nc2s1.
What is the InChIKey of methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate?
The InChIKey is LXNHWLIAOQEJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-5-4-6-8(13)11-7(10(14)15-2)12-9(6)16-5/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate?
methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 18516114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).