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

C15H24N2S — CID 106476831

IUPAC5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(CC)CC2)nc1=S
InChIInChI=1S/C15H24N2S/c1-4-11-6-8-12(9-7-11)14-16-10(3)13(5-2)15(18)17-14/h11-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyGPBPQWXMBZJXFK-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.69
Rot. Bonds3

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

5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476831) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476831
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(CC)CC2)nc1=S
InChIInChI=1S/C15H24N2S/c1-4-11-6-8-12(9-7-11)14-16-10(3)13(5-2)15(18)17-14/h11-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyGPBPQWXMBZJXFK-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.69
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
(7R)-2,4,4,7-tetramethyl-5,6,7,8-tetrahydro-1H-quinazoline
CID 21793392
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
2-(4-tert-butylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475200
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
2-(4-ethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475310

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione (CID 106476831) is 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CCC(CC)CC2)nc1=S.
What is the InChIKey of 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is GPBPQWXMBZJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-11-6-8-12(9-7-11)14-16-10(3)13(5-2)15(18)17-14/h11-12H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 264.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).