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

C15H24N2S — CID 106475808

IUPAC6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCC1CCC(c2nc(=S)cc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C15H24N2S/c1-10-5-7-11(8-6-10)14-16-12(15(2,3)4)9-13(18)17-14/h9-11H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyCPWZXIJEAUIXNV-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.73
Rot. Bonds1

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

6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106475808) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106475808
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCC1CCC(c2nc(=S)cc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C15H24N2S/c1-10-5-7-11(8-6-10)14-16-12(15(2,3)4)9-13(18)17-14/h9-11H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyCPWZXIJEAUIXNV-UHFFFAOYSA-N
XLogP4.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-difluorocyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 114217011
2-(3,3-difluorocyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149
2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475152
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475159
2-(4-tert-butylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475200

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione (CID 106475808) is 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione is CC1CCC(c2nc(=S)cc(C(C)(C)C)[nH]2)CC1.
What is the InChIKey of 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is CPWZXIJEAUIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10-5-7-11(8-6-10)14-16-12(15(2,3)4)9-13(18)17-14/h9-11H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 264.44 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).