6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione

C15H24N2OS — CID 106475849

IUPAC6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C(C)(C)C)[nH]2)CCCCC1
InChIInChI=1S/C15H24N2OS/c1-14(2,3)11-10-12(19)17-13(16-11)15(18-4)8-6-5-7-9-15/h10H,5-9H2,1-4H3,(H,16,17,19)
InChIKeyJJNKJELAELSCMN-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.24
Rot. Bonds2

About 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione

6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106475849) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106475849
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C(C)(C)C)[nH]2)CCCCC1
InChIInChI=1S/C15H24N2OS/c1-14(2,3)11-10-12(19)17-13(16-11)15(18-4)8-6-5-7-9-15/h10H,5-9H2,1-4H3,(H,16,17,19)
InChIKeyJJNKJELAELSCMN-UHFFFAOYSA-N
XLogP4.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.24
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-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475144
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475179
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 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione (CID 106475849) is 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione is COC1(c2nc(=S)cc(C(C)(C)C)[nH]2)CCCCC1.
What is the InChIKey of 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is JJNKJELAELSCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-14(2,3)11-10-12(19)17-13(16-11)15(18-4)8-6-5-7-9-15/h10H,5-9H2,1-4H3,(H,16,17,19).
What are the key properties of 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione?
6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).