2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione

C12H18N2S — CID 106475743

IUPAC2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCC1CCC(c2nc(=S)cc(C)[nH]2)C1
InChIInChI=1S/C12H18N2S/c1-3-9-4-5-10(7-9)12-13-8(2)6-11(15)14-12/h6,9-10H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyYIYDOLFIISYICO-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.74
Rot. Bonds2

About 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione

2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475743) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475743
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCC1CCC(c2nc(=S)cc(C)[nH]2)C1
InChIInChI=1S/C12H18N2S/c1-3-9-4-5-10(7-9)12-13-8(2)6-11(15)14-12/h6,9-10H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyYIYDOLFIISYICO-UHFFFAOYSA-N
XLogP3.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-ethylcyclopentyl)-6-methyl-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

2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475159
2-cyclopentyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475301
2-cycloheptyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475348
2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475407
2-(3-methylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475415
2-(3-ethylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475492
2-cyclooctyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475545
2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione
CID 106475552
6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475556
2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475560
2-(4,4-dimethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475561

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475743) is 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione is CCC1CCC(c2nc(=S)cc(C)[nH]2)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is YIYDOLFIISYICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-9-4-5-10(7-9)12-13-8(2)6-11(15)14-12/h6,9-10H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 222.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).