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

C9H13N3S — CID 82457099

IUPAC6-(cyclopentylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CCCC2)[nH]cn1
InChIInChI=1S/C9H13N3S/c13-9-5-8(10-6-11-9)12-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12,13)
InChIKeyUTLDBSIBUKCFTB-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.49
Rot. Bonds2

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

6-(cyclopentylamino)-1H-pyrimidine-4-thione (PubChem CID 82457099) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-(cyclopentylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopentylamino)-1H-pyrimidine-4-thione
PubChem CID82457099
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name6-(cyclopentylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CCCC2)[nH]cn1
InChIInChI=1S/C9H13N3S/c13-9-5-8(10-6-11-9)12-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12,13)
InChIKeyUTLDBSIBUKCFTB-UHFFFAOYSA-N
XLogP2.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(cyclopentylamino)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457343
6-(2-methoxyethylamino)-1H-pyrimidine-4-thione
CID 82457110
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
2-tert-butyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457381
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136955958
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457632
6-thiomorpholin-4-yl-1H-pyrimidine-4-thione
CID 50743484
N-cyclohexyl-1H-indol-6-amine
CID 139269794
N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopentylamino)-1H-pyrimidine-4-thione (CID 82457099) is 6-(cyclopentylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopentylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopentylamino)-1H-pyrimidine-4-thione is S=c1cc(NC2CCCC2)[nH]cn1.
What is the InChIKey of 6-(cyclopentylamino)-1H-pyrimidine-4-thione?
The InChIKey is UTLDBSIBUKCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c13-9-5-8(10-6-11-9)12-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12,13).
What are the key properties of 6-(cyclopentylamino)-1H-pyrimidine-4-thione?
6-(cyclopentylamino)-1H-pyrimidine-4-thione has a molecular weight of 195.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).