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

C16H26N2OS — CID 106475144

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OCC)CCCC(C)C2)[nH]1
InChIInChI=1S/C16H26N2OS/c1-4-7-13-10-14(20)18-15(17-13)16(19-5-2)9-6-8-12(3)11-16/h10,12H,4-9,11H2,1-3H3,(H,17,18,20)
InChIKeyZTRXOVBHCCZVLC-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.53
Rot. Bonds5

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

2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475144) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475144
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OCC)CCCC(C)C2)[nH]1
InChIInChI=1S/C16H26N2OS/c1-4-7-13-10-14(20)18-15(17-13)16(19-5-2)9-6-8-12(3)11-16/h10,12H,4-9,11H2,1-3H3,(H,17,18,20)
InChIKeyZTRXOVBHCCZVLC-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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-[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-methoxy-4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475179
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
2-(1-ethoxycyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475218
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-(1-methoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475261

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475144) is 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2(OCC)CCCC(C)C2)[nH]1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is ZTRXOVBHCCZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-7-13-10-14(20)18-15(17-13)16(19-5-2)9-6-8-12(3)11-16/h10,12H,4-9,11H2,1-3H3,(H,17,18,20).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 294.46 g/mol, XLogP of 4.53, 5 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)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).