6-(cyclopropylamino)-1H-pyrimidine-4-thione

C7H9N3S — CID 82457079

IUPAC6-(cyclopropylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CC2)[nH]cn1
InChIInChI=1S/C7H9N3S/c11-7-3-6(8-4-9-7)10-5-1-2-5/h3-5H,1-2H2,(H2,8,9,10,11)
InChIKeyFSIRDGNZDHTFOU-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.71
Rot. Bonds2

About 6-(cyclopropylamino)-1H-pyrimidine-4-thione

6-(cyclopropylamino)-1H-pyrimidine-4-thione (PubChem CID 82457079) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 6-(cyclopropylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopropylamino)-1H-pyrimidine-4-thione
PubChem CID82457079
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name6-(cyclopropylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CC2)[nH]cn1
InChIInChI=1S/C7H9N3S/c11-7-3-6(8-4-9-7)10-5-1-2-5/h3-5H,1-2H2,(H2,8,9,10,11)
InChIKeyFSIRDGNZDHTFOU-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(propylamino)-1H-pyrimidine-4-thione
CID 3720756
2-(cyclopropylamino)-1H-pyrimidine-6-thione
CID 123629443
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457078
6-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457095
6-(cyclopentylamino)-1H-pyrimidine-4-thione
CID 82457099
6-(butan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457108
6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457143
6-(cyclopropylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457206
6-(cyclopropylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457324

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopropylamino)-1H-pyrimidine-4-thione (CID 82457079) is 6-(cyclopropylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopropylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopropylamino)-1H-pyrimidine-4-thione is S=c1cc(NC2CC2)[nH]cn1.
What is the InChIKey of 6-(cyclopropylamino)-1H-pyrimidine-4-thione?
The InChIKey is FSIRDGNZDHTFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c11-7-3-6(8-4-9-7)10-5-1-2-5/h3-5H,1-2H2,(H2,8,9,10,11).
What are the key properties of 6-(cyclopropylamino)-1H-pyrimidine-4-thione?
6-(cyclopropylamino)-1H-pyrimidine-4-thione has a molecular weight of 167.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).