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

C13H20N2S — CID 106476242

IUPAC6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CCC(CC)C2)[nH]1
InChIInChI=1S/C13H20N2S/c1-3-9-5-6-10(7-9)13-14-11(4-2)8-12(16)15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyYRTGDTXEXORSEJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.00
Rot. Bonds3

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

6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione (PubChem CID 106476242) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
PubChem CID106476242
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CCC(CC)C2)[nH]1
InChIInChI=1S/C13H20N2S/c1-3-9-5-6-10(7-9)13-14-11(4-2)8-12(16)15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyYRTGDTXEXORSEJ-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'}

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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
2-(3,3-difluorocyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 114217011
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-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149
2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475152

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione (CID 106476242) is 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C2CCC(CC)C2)[nH]1.
What is the InChIKey of 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
The InChIKey is YRTGDTXEXORSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-3-9-5-6-10(7-9)13-14-11(4-2)8-12(16)15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
6-ethyl-2-(3-ethylcyclopentyl)-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 6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).