5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione

C14H22N2S — CID 106476827

IUPAC5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(C)CC2)nc1=S
InChIInChI=1S/C14H22N2S/c1-4-12-10(3)15-13(16-14(12)17)11-7-5-9(2)6-8-11/h9,11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyWARLNILUTKUBAF-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.30
Rot. Bonds2

About 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione

5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106476827) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106476827
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(C)CC2)nc1=S
InChIInChI=1S/C14H22N2S/c1-4-12-10(3)15-13(16-14(12)17)11-7-5-9(2)6-8-11/h9,11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyWARLNILUTKUBAF-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.30
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-difluorocyclopentyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 114217015
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-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
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
6-propyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475237
2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475279
2-(4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475306

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione (CID 106476827) is 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CCC(C)CC2)nc1=S.
What is the InChIKey of 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is WARLNILUTKUBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-4-12-10(3)15-13(16-14(12)17)11-7-5-9(2)6-8-11/h9,11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 250.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).