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

C15H24N2O2S — CID 106477681

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(COC)[nH]2)CCCC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-19-15(7-5-6-11(2)9-15)14-16-12(10-18-3)8-13(20)17-14/h8,11H,4-7,9-10H2,1-3H3,(H,16,17,20)
InChIKeyRSPIRTZZIUIJQV-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.73
Rot. Bonds5

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

2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477681) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477681
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(COC)[nH]2)CCCC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-19-15(7-5-6-11(2)9-15)14-16-12(10-18-3)8-13(20)17-14/h8,11H,4-7,9-10H2,1-3H3,(H,16,17,20)
InChIKeyRSPIRTZZIUIJQV-UHFFFAOYSA-N
XLogP3.73
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.73
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-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475144
2-(1-methoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475261
2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475402
2-(1-ethoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475474
2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475515
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-ethoxy-4-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475726
6-tert-butyl-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475902
2-(1-ethoxy-3-methylcyclohexyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476159
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106476262

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477681) is 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)cc(COC)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is RSPIRTZZIUIJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-19-15(7-5-6-11(2)9-15)14-16-12(10-18-3)8-13(20)17-14/h8,11H,4-7,9-10H2,1-3H3,(H,16,17,20).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 296.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).