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

C15H24N2OS — CID 106475220

IUPAC2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OCC)CCCCC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-3-8-12-11-13(19)17-14(16-12)15(18-4-2)9-6-5-7-10-15/h11H,3-10H2,1-2H3,(H,16,17,19)
InChIKeyBKRXQRZBPUTXAO-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.29
Rot. Bonds5

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

2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475220) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475220
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(OCC)CCCCC2)[nH]1
InChIInChI=1S/C15H24N2OS/c1-3-8-12-11-13(19)17-14(16-12)15(18-4-2)9-6-5-7-10-15/h11H,3-10H2,1-2H3,(H,16,17,19)
InChIKeyBKRXQRZBPUTXAO-UHFFFAOYSA-N
XLogP4.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.29
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-methoxycyclobutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475175

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475220) is 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2(OCC)CCCCC2)[nH]1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is BKRXQRZBPUTXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-8-12-11-13(19)17-14(16-12)15(18-4-2)9-6-5-7-10-15/h11H,3-10H2,1-2H3,(H,16,17,19).
What are the key properties of 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).