1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C7H8N2S — CID 1408783

IUPAC1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc[nH]c2c1CCC2
InChIInChI=1S/C7H8N2S/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChIKeyWNWURXIPUSLBLR-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.63
Rot. Bonds

About 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 1408783) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID1408783
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc[nH]c2c1CCC2
InChIInChI=1S/C7H8N2S/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChIKeyWNWURXIPUSLBLR-UHFFFAOYSA-N
XLogP1.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 1408783) is 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is S=c1nc[nH]c2c1CCC2.
What is the InChIKey of 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is WNWURXIPUSLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10).
What are the key properties of 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 152.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 1408783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).