2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione

C13H20N2S — CID 106475159

IUPAC2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCC(C)C2)[nH]1
InChIInChI=1S/C13H20N2S/c1-3-4-11-8-12(16)15-13(14-11)10-6-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZBTHYYURHHFIBZ-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione

2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475159) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475159
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCC(C)C2)[nH]1
InChIInChI=1S/C13H20N2S/c1-3-4-11-8-12(16)15-13(14-11)10-6-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZBTHYYURHHFIBZ-UHFFFAOYSA-N
XLogP4.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylcyclopentyl)-6-propyl-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-cyclopentyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106481857
6-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113839854
6-cyclopropyl-2-(3,3-difluorocyclopentyl)-1H-pyrimidine-4-thione
CID 114217017
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
2-(2-bicyclo[2.2.1]heptanyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475061
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475085
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475159) is 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCC(C)C2)[nH]1.
What is the InChIKey of 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is ZBTHYYURHHFIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-3-4-11-8-12(16)15-13(14-11)10-6-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione?
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 236.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).