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

C7H9N3S — CID 3353652

IUPAC2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESNc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C7H9N3S/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11)
InChIKeyNQIRPVBDACDNTL-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.21
Rot. Bonds

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

2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 3353652) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID3353652
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESNc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C7H9N3S/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11)
InChIKeyNQIRPVBDACDNTL-UHFFFAOYSA-N
XLogP1.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 3353652) is 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is Nc1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is NQIRPVBDACDNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11).
What are the key properties of 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 167.24 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 3353652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).