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

C14H22N2OS — CID 106476224

IUPAC2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(CC)[nH]2)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-3-11-10-12(18)16-13(15-11)14(17-4-2)8-6-5-7-9-14/h10H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyUBEHPMKBXRBEMV-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.90
Rot. Bonds4

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

2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476224) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476224
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(CC)[nH]2)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-3-11-10-12(18)16-13(15-11)14(17-4-2)8-6-5-7-9-14/h10H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyUBEHPMKBXRBEMV-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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-methoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475066
2-(1-methoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475067
2-(2-methyloxan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475084
2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-(3-methoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475091
2-(4-methoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475102
2-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475142
2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475144
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475179

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione (CID 106476224) is 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)cc(CC)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is UBEHPMKBXRBEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-11-10-12(18)16-13(15-11)14(17-4-2)8-6-5-7-9-14/h10H,3-9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione?
2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).