4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid

C7H6N4O2S — CID 70868973

IUPAC4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESNc1ncnc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C7H6N4O2S/c8-3-2-5(9)10-1-11-6(2)14-4(3)7(12)13/h1H,8H2,(H,12,13)(H2,9,10,11)
InChIKeyQHPCVXROBNTXDJ-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.55
Rot. Bonds1

About 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid

4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 70868973) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID70868973
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESNc1ncnc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C7H6N4O2S/c8-3-2-5(9)10-1-11-6(2)14-4(3)7(12)13/h1H,8H2,(H,12,13)(H2,9,10,11)
InChIKeyQHPCVXROBNTXDJ-UHFFFAOYSA-N
XLogP0.55
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 70868973) is 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid is Nc1ncnc2sc(C(=O)O)c(N)c12.
What is the InChIKey of 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is QHPCVXROBNTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c8-3-2-5(9)10-1-11-6(2)14-4(3)7(12)13/h1H,8H2,(H,12,13)(H2,9,10,11).
What are the key properties of 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid?
4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 210.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diaminothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 70868973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).