1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

C7H6N2O2S — CID 69441915

IUPAC1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(s1)NCN=C2
InChIInChI=1S/C7H6N2O2S/c10-7(11)5-1-4-2-8-3-9-6(4)12-5/h1-2,9H,3H2,(H,10,11)
InChIKeyHULBINUEOMDGBQ-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.25
Rot. Bonds1

About 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 69441915) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID69441915
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(s1)NCN=C2
InChIInChI=1S/C7H6N2O2S/c10-7(11)5-1-4-2-8-3-9-6(4)12-5/h1-2,9H,3H2,(H,10,11)
InChIKeyHULBINUEOMDGBQ-UHFFFAOYSA-N
XLogP1.25
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 69441915) is 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2c(s1)NCN=C2.
What is the InChIKey of 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is HULBINUEOMDGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-7(11)5-1-4-2-8-3-9-6(4)12-5/h1-2,9H,3H2,(H,10,11).
What are the key properties of 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 182.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 69441915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).