2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C16H26N2OS — CID 106476927

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(CC)c(C)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H26N2OS/c1-5-13-12(4)17-15(18-14(13)20)16(19-6-2)9-7-8-11(3)10-16/h11H,5-10H2,1-4H3,(H,17,18,20)
InChIKeyFJBZHRGAOVJZRJ-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.45
Rot. Bonds4

About 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476927) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476927
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(CC)c(C)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H26N2OS/c1-5-13-12(4)17-15(18-14(13)20)16(19-6-2)9-7-8-11(3)10-16/h11H,5-10H2,1-4H3,(H,17,18,20)
InChIKeyFJBZHRGAOVJZRJ-UHFFFAOYSA-N
XLogP4.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.45
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-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476925
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475658
2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476786
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296
2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136963804
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116745240
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
2-(1-ethoxycyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478258
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 116779805
5-ethyl-6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476858
3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742913
[2-(1-ethoxy-3-methylcyclohexyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116777719

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476927) is 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)c(CC)c(C)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is FJBZHRGAOVJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-13-12(4)17-15(18-14(13)20)16(19-6-2)9-7-8-11(3)10-16/h11H,5-10H2,1-4H3,(H,17,18,20).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 294.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).