6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione

C7H9N5S — CID 135431270

IUPAC6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C7H9N5S/c1-12(2)7-9-5-4(3-8-11-5)6(13)10-7/h3H,1-2H3,(H2,8,9,10,11,13)
InChIKeyJDDLIPQPBXSBIC-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.08
Rot. Bonds1

About 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione

6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (PubChem CID 135431270) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
PubChem CID135431270
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C7H9N5S/c1-12(2)7-9-5-4(3-8-11-5)6(13)10-7/h3H,1-2H3,(H2,8,9,10,11,13)
InChIKeyJDDLIPQPBXSBIC-UHFFFAOYSA-N
XLogP1.08
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The IUPAC name of 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (CID 135431270) is 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.
What is the SMILES notation for 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The canonical SMILES for 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione is CN(C)c1nc(=S)c2cn[nH]c2[nH]1.
What is the InChIKey of 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The InChIKey is JDDLIPQPBXSBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12(2)7-9-5-4(3-8-11-5)6(13)10-7/h3H,1-2H3,(H2,8,9,10,11,13).
What are the key properties of 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione has a molecular weight of 195.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione is sourced from PubChem (CID 135431270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).