6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C9H6N4O2S — CID 142745658

IUPAC6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(-n3cccn3)sc2[nH]1
InChIInChI=1S/C9H6N4O2S/c14-7-5-4-6(13-3-1-2-10-13)16-8(5)12-9(15)11-7/h1-4H,(H2,11,12,14,15)
InChIKeyPPKUZNHXCFMQFK-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.46
Rot. Bonds1

About 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione

6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 142745658) has the molecular formula C9H6N4O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID142745658
Molecular FormulaC9H6N4O2S
Molecular Weight234.24 g/mol
Exact Mass234.02
IUPAC Name6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(-n3cccn3)sc2[nH]1
InChIInChI=1S/C9H6N4O2S/c14-7-5-4-6(13-3-1-2-10-13)16-8(5)12-9(15)11-7/h1-4H,(H2,11,12,14,15)
InChIKeyPPKUZNHXCFMQFK-UHFFFAOYSA-N
XLogP0.46
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 142745658) is 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2cc(-n3cccn3)sc2[nH]1.
What is the InChIKey of 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PPKUZNHXCFMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2S/c14-7-5-4-6(13-3-1-2-10-13)16-8(5)12-9(15)11-7/h1-4H,(H2,11,12,14,15).
What are the key properties of 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 234.24 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 142745658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).