2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione

C15H24N2OS — CID 106481442

IUPAC2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(CC(C)C)[nH]2)CCCC1
InChIInChI=1S/C15H24N2OS/c1-4-18-15(7-5-6-8-15)14-16-12(9-11(2)3)10-13(19)17-14/h10-11H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyVFCWVXSCCGRJPU-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.14
Rot. Bonds5

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

2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481442) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481442
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(CC(C)C)[nH]2)CCCC1
InChIInChI=1S/C15H24N2OS/c1-4-18-15(7-5-6-8-15)14-16-12(9-11(2)3)10-13(19)17-14/h10-11H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyVFCWVXSCCGRJPU-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106481898
6-cyclopentyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106481936
2-(1-methoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475066
2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475067
2-(2-methyloxan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475084
2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
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-(4-methoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475102
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-ethoxy-4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475142

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481442) is 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)cc(CC(C)C)[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is VFCWVXSCCGRJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-18-15(7-5-6-8-15)14-16-12(9-11(2)3)10-13(19)17-14/h10-11H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).