4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid

C10H7N5O2S — CID 107345995

IUPAC4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid
SMILESNc1cn(-c2ncnc3ccsc23)nc1C(=O)O
InChIInChI=1S/C10H7N5O2S/c11-5-3-15(14-7(5)10(16)17)9-8-6(1-2-18-8)12-4-13-9/h1-4H,11H2,(H,16,17)
InChIKeyUUQJYKAGIJNVOA-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.16
Rot. Bonds2

About 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid

4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid (PubChem CID 107345995) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid
PubChem CID107345995
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid
SMILESNc1cn(-c2ncnc3ccsc23)nc1C(=O)O
InChIInChI=1S/C10H7N5O2S/c11-5-3-15(14-7(5)10(16)17)9-8-6(1-2-18-8)12-4-13-9/h1-4H,11H2,(H,16,17)
InChIKeyUUQJYKAGIJNVOA-UHFFFAOYSA-N
XLogP1.16
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine
CID 61175252
(1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine
CID 62950160
4-amino-1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 107346080
4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid
CID 107346001
6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
CID 133340858
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
formic acid;thieno[3,2-d]pyrimidin-4-amine
CID 175992852
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524521
2-(6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)acetic acid
CID 74232473
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid (CID 107345995) is 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid is Nc1cn(-c2ncnc3ccsc23)nc1C(=O)O.
What is the InChIKey of 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid?
The InChIKey is UUQJYKAGIJNVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c11-5-3-15(14-7(5)10(16)17)9-8-6(1-2-18-8)12-4-13-9/h1-4H,11H2,(H,16,17).
What are the key properties of 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid?
4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid has a molecular weight of 261.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 107345995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).