2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

C14H22N2OS — CID 106477807

IUPAC2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCC1CCCC(c2nc(=S)cc(COC)[nH]2)C1
InChIInChI=1S/C14H22N2OS/c1-3-10-5-4-6-11(7-10)14-15-12(9-17-2)8-13(18)16-14/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyKWGADCMFFUYXNI-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477807) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477807
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCC1CCCC(c2nc(=S)cc(COC)[nH]2)C1
InChIInChI=1S/C14H22N2OS/c1-3-10-5-4-6-11(7-10)14-15-12(9-17-2)8-13(18)16-14/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyKWGADCMFFUYXNI-UHFFFAOYSA-N
XLogP3.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.97
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

2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
2-(4,4-dimethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477592
2-(2-bicyclo[2.2.1]heptanyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477599
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
2-[cyclohexyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477642
2-(1-adamantyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477660
6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477666
2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477681
2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477685
6-(methoxymethyl)-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477687
6-(methoxymethyl)-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106477693
2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477733

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477807) is 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCC1CCCC(c2nc(=S)cc(COC)[nH]2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is KWGADCMFFUYXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-10-5-4-6-11(7-10)14-15-12(9-17-2)8-13(18)16-14/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).