6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione

C15H24N2S — CID 106476241

IUPAC6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)cc(CC)[nH]2)CC1
InChIInChI=1S/C15H24N2S/c1-3-5-11-6-8-12(9-7-11)15-16-13(4-2)10-14(18)17-15/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyAZAOPUBJTGXSAW-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.78
Rot. Bonds4

About 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione

6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106476241) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106476241
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)cc(CC)[nH]2)CC1
InChIInChI=1S/C15H24N2S/c1-3-5-11-6-8-12(9-7-11)15-16-13(4-2)10-14(18)17-15/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyAZAOPUBJTGXSAW-UHFFFAOYSA-N
XLogP4.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (CID 106476241) is 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione is CCCC1CCC(c2nc(=S)cc(CC)[nH]2)CC1.
What is the InChIKey of 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is AZAOPUBJTGXSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-5-11-6-8-12(9-7-11)15-16-13(4-2)10-14(18)17-15/h10-12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 264.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).