4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione

C7H7N3S — CID 23372548

IUPAC4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione
SMILESNc1[nH]c(=S)[nH]c2cccc1-2
InChIInChI=1S/C7H7N3S/c8-6-4-2-1-3-5(4)9-7(11)10-6/h1-3H,8H2,(H2,9,10,11)
InChIKeyAHVPVEILZJILQI-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.76
Rot. Bonds

About 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione

4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione (PubChem CID 23372548) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione
PubChem CID23372548
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione
SMILESNc1[nH]c(=S)[nH]c2cccc1-2
InChIInChI=1S/C7H7N3S/c8-6-4-2-1-3-5(4)9-7(11)10-6/h1-3H,8H2,(H2,9,10,11)
InChIKeyAHVPVEILZJILQI-UHFFFAOYSA-N
XLogP1.76
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.76
H-Bond Donors ≤ 53
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 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione?
The IUPAC name of 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione (CID 23372548) is 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione?
The canonical SMILES for 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione is Nc1[nH]c(=S)[nH]c2cccc1-2.
What is the InChIKey of 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione?
The InChIKey is AHVPVEILZJILQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-6-4-2-1-3-5(4)9-7(11)10-6/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione?
4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione has a molecular weight of 165.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione is sourced from PubChem (CID 23372548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).