ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

C11H13N3O3S — CID 676970

IUPACethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)n(N)c(=O)c2c1C
InChIInChI=1S/C11H13N3O3S/c1-4-17-11(16)8-5(2)7-9(18-8)13-6(3)14(12)10(7)15/h4,12H2,1-3H3
InChIKeyCXBRHOAOLFTBPG-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.97
Rot. Bonds2

About ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 676970) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID676970
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Nameethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)n(N)c(=O)c2c1C
InChIInChI=1S/C11H13N3O3S/c1-4-17-11(16)8-5(2)7-9(18-8)13-6(3)14(12)10(7)15/h4,12H2,1-3H3
InChIKeyCXBRHOAOLFTBPG-UHFFFAOYSA-N
XLogP0.97
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CID 676970) is ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)n(N)c(=O)c2c1C.
What is the InChIKey of ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CXBRHOAOLFTBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-4-17-11(16)8-5(2)7-9(18-8)13-6(3)14(12)10(7)15/h4,12H2,1-3H3.
What are the key properties of ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 267.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 676970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).