2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione

C15H24N2S — CID 106475055

IUPAC2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C15H24N2S/c1-4-5-12-10-13(18)17-14(16-12)11-6-8-15(2,3)9-7-11/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyAZOKBOJZKPFGJL-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.78
Rot. Bonds3

About 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione

2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475055) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475055
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C15H24N2S/c1-4-5-12-10-13(18)17-14(16-12)11-6-8-15(2,3)9-7-11/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyAZOKBOJZKPFGJL-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
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 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475055) is 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCC(C)(C)CC2)[nH]1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is AZOKBOJZKPFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-5-12-10-13(18)17-14(16-12)11-6-8-15(2,3)9-7-11/h10-11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 264.44 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).