5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione

C13H20N2S — CID 106476581

IUPAC5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCC(C)CC2)nc(=S)c1C
InChIInChI=1S/C13H20N2S/c1-8-4-6-11(7-5-8)12-14-10(3)9(2)13(16)15-12/h8,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeySPURPOUZVKQQKK-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.05
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106476581) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106476581
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCC(C)CC2)nc(=S)c1C
InChIInChI=1S/C13H20N2S/c1-8-4-6-11(7-5-8)12-14-10(3)9(2)13(16)15-12/h8,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeySPURPOUZVKQQKK-UHFFFAOYSA-N
XLogP4.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.05
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-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
2-cyclohexyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172194
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475306
2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475407
6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475556
2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475560
2-(4,4-dimethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475561
6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475642
2-cyclohexyl-6-methyl-1H-pyrimidine-4-thione
CID 106475662
6-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475665
2-(3-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475782

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione (CID 106476581) is 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2CCC(C)CC2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is SPURPOUZVKQQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-8-4-6-11(7-5-8)12-14-10(3)9(2)13(16)15-12/h8,11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 236.38 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).