2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione

C16H26N2OS — CID 106478142

IUPAC2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)c(C)c(CC)[nH]1)C1CCCCC1
InChIInChI=1S/C16H26N2OS/c1-4-13-11(3)16(20)18-15(17-13)14(19-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyJFXUZGPYFPCLDX-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.67
Rot. Bonds5

About 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione

2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106478142) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
PubChem CID106478142
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)c(C)c(CC)[nH]1)C1CCCCC1
InChIInChI=1S/C16H26N2OS/c1-4-13-11(3)16(20)18-15(17-13)14(19-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyJFXUZGPYFPCLDX-UHFFFAOYSA-N
XLogP4.67
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.67
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-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220
2-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475221
2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475262
2-[cyclohexyl(ethoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475359
2-(1-ethoxycycloheptyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475467
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
2-[cyclohexyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475516
2-[cyclohexyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475763
6-tert-butyl-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidine-4-thione
CID 106475865
6-tert-butyl-2-(1-ethoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106475979

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione (CID 106478142) is 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione is CCOC(c1nc(=S)c(C)c(CC)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is JFXUZGPYFPCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-13-11(3)16(20)18-15(17-13)14(19-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H,17,18,20).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione?
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 294.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).