1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid

C7H8N2O2S — CID 90873742

IUPAC1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(s1)NCNC2
InChIInChI=1S/C7H8N2O2S/c10-7(11)5-1-4-2-8-3-9-6(4)12-5/h1,8-9H,2-3H2,(H,10,11)
InChIKeyKUCXYGNTPRWSKQ-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.92
Rot. Bonds1

About 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid

1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 90873742) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID90873742
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(s1)NCNC2
InChIInChI=1S/C7H8N2O2S/c10-7(11)5-1-4-2-8-3-9-6(4)12-5/h1,8-9H,2-3H2,(H,10,11)
InChIKeyKUCXYGNTPRWSKQ-UHFFFAOYSA-N
XLogP0.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 90873742) is 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2c(s1)NCNC2.
What is the InChIKey of 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is KUCXYGNTPRWSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-7(11)5-1-4-2-8-3-9-6(4)12-5/h1,8-9H,2-3H2,(H,10,11).
What are the key properties of 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 90873742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).