6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione

C15H24N2OS — CID 106482000

IUPAC6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(C2CCCC2)[nH]1)C(C)C
InChIInChI=1S/C15H24N2OS/c1-4-18-14(10(2)3)15-16-12(9-13(19)17-15)11-7-5-6-8-11/h9-11,14H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyCJADYQGVTKZZPT-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.53
Rot. Bonds5

About 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione

6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106482000) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106482000
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(C2CCCC2)[nH]1)C(C)C
InChIInChI=1S/C15H24N2OS/c1-4-18-14(10(2)3)15-16-12(9-13(19)17-15)11-7-5-6-8-11/h9-11,14H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyCJADYQGVTKZZPT-UHFFFAOYSA-N
XLogP4.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106481848
6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106481849
6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106481898
6-cyclopentyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106481936
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-(3-methoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475091
2-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione (CID 106482000) is 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione is CCOC(c1nc(=S)cc(C2CCCC2)[nH]1)C(C)C.
What is the InChIKey of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is CJADYQGVTKZZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-18-14(10(2)3)15-16-12(9-13(19)17-15)11-7-5-6-8-11/h9-11,14H,4-8H2,1-3H3,(H,16,17,19).
What are the key properties of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106482000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).