2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

C14H22N2O2S — CID 106477752

IUPAC2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(COC)[nH]2)CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(7-5-4-6-8-14)13-15-11(10-17-2)9-12(19)16-13/h9H,3-8,10H2,1-2H3,(H,15,16,19)
InChIKeyYNGIBHDGNTWGAG-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.48
Rot. Bonds5

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

2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477752) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477752
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(COC)[nH]2)CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(7-5-4-6-8-14)13-15-11(10-17-2)9-12(19)16-13/h9H,3-8,10H2,1-2H3,(H,15,16,19)
InChIKeyYNGIBHDGNTWGAG-UHFFFAOYSA-N
XLogP3.48
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-(1-ethoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475474
2-(1-ethoxy-4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475475
6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106475594
2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475601
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475656
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475658
2-(1-ethoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475723
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475726
2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475763

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477752) is 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)cc(COC)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is YNGIBHDGNTWGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-14(7-5-4-6-8-14)13-15-11(10-17-2)9-12(19)16-13/h9H,3-8,10H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 282.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).