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

C14H22N2S — CID 106477016

IUPAC5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(CC)C2)nc1=S
InChIInChI=1S/C14H22N2S/c1-4-10-6-7-11(8-10)13-15-9(3)12(5-2)14(17)16-13/h10-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyJHSXLYWWPUGDRQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.30
Rot. Bonds3

About 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione

5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106477016) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106477016
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(CC)C2)nc1=S
InChIInChI=1S/C14H22N2S/c1-4-10-6-7-11(8-10)13-15-9(3)12(5-2)14(17)16-13/h10-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyJHSXLYWWPUGDRQ-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-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-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 114217014
2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 114217015
2-(3,3-difluorocyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
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-(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-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475743
6-tert-butyl-2-cyclopentyl-1H-pyrimidine-4-thione
CID 106475802
6-tert-butyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106475920
6-tert-butyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
CID 106475998

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione (CID 106477016) is 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CCC(CC)C2)nc1=S.
What is the InChIKey of 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is JHSXLYWWPUGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-4-10-6-7-11(8-10)13-15-9(3)12(5-2)14(17)16-13/h10-11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 250.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-ethylcyclopentyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).