methyl thieno[3,2-d]pyrimidine-4-carboxylate

C8H6N2O2S — CID 59802511

IUPACmethyl thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1ncnc2ccsc12
InChIInChI=1S/C8H6N2O2S/c1-12-8(11)6-7-5(2-3-13-7)9-4-10-6/h2-4H,1H3
InChIKeyKJQJFAKBXWTHLA-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.48
Rot. Bonds1

About methyl thieno[3,2-d]pyrimidine-4-carboxylate

methyl thieno[3,2-d]pyrimidine-4-carboxylate (PubChem CID 59802511) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is methyl thieno[3,2-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl thieno[3,2-d]pyrimidine-4-carboxylate
PubChem CID59802511
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Namemethyl thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1ncnc2ccsc12
InChIInChI=1S/C8H6N2O2S/c1-12-8(11)6-7-5(2-3-13-7)9-4-10-6/h2-4H,1H3
InChIKeyKJQJFAKBXWTHLA-UHFFFAOYSA-N
XLogP1.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl thieno[3,2-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl thieno[3,2-d]pyrimidine-4-carboxylate (CID 59802511) is methyl thieno[3,2-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl thieno[3,2-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl thieno[3,2-d]pyrimidine-4-carboxylate is COC(=O)c1ncnc2ccsc12.
What is the InChIKey of methyl thieno[3,2-d]pyrimidine-4-carboxylate?
The InChIKey is KJQJFAKBXWTHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-12-8(11)6-7-5(2-3-13-7)9-4-10-6/h2-4H,1H3.
What are the key properties of methyl thieno[3,2-d]pyrimidine-4-carboxylate?
methyl thieno[3,2-d]pyrimidine-4-carboxylate has a molecular weight of 194.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thieno[3,2-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 59802511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).