2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid

C13H10N4O2S — CID 68733038

IUPAC2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C13H10N4O2S/c18-12(19)10-11-9(3-5-20-11)16-13(17-10)15-7-8-2-1-4-14-6-8/h1-6H,7H2,(H,18,19)(H,15,16,17)
InChIKeyLKGCKISEGRISGU-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.40
Rot. Bonds4

About 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid

2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 68733038) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID68733038
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C13H10N4O2S/c18-12(19)10-11-9(3-5-20-11)16-13(17-10)15-7-8-2-1-4-14-6-8/h1-6H,7H2,(H,18,19)(H,15,16,17)
InChIKeyLKGCKISEGRISGU-UHFFFAOYSA-N
XLogP2.40
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid (CID 68733038) is 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is LKGCKISEGRISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-12(19)10-11-9(3-5-20-11)16-13(17-10)15-7-8-2-1-4-14-6-8/h1-6H,7H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid?
2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 286.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 68733038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).