1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione

C7H8N2S2 — CID 3704003

IUPAC1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione
SMILESS=c1[nH]c2c(c(=S)[nH]1)CCC2
InChIInChI=1S/C7H8N2S2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)
InChIKeyUEKZKPGUTCCSFX-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.29
Rot. Bonds

About 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione

1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione (PubChem CID 3704003) has the molecular formula C7H8N2S2 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione.

Molecular Properties

Compound Name1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione
PubChem CID3704003
Molecular FormulaC7H8N2S2
Molecular Weight184.29 g/mol
Exact Mass184.01
IUPAC Name1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione
SMILESS=c1[nH]c2c(c(=S)[nH]1)CCC2
InChIInChI=1S/C7H8N2S2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)
InChIKeyUEKZKPGUTCCSFX-UHFFFAOYSA-N
XLogP2.29
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-2,4-dithione?
The IUPAC name of 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione (CID 3704003) is 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione.
What is the SMILES notation for 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione?
The canonical SMILES for 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione is S=c1[nH]c2c(c(=S)[nH]1)CCC2.
What is the InChIKey of 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione?
The InChIKey is UEKZKPGUTCCSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11).
What are the key properties of 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione?
1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione has a molecular weight of 184.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dithione is sourced from PubChem (CID 3704003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).