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

C15H24N2S — CID 106476764

IUPAC5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)c(C)c(C)[nH]2)CC1
InChIInChI=1S/C15H24N2S/c1-4-5-12-6-8-13(9-7-12)14-16-11(3)10(2)15(18)17-14/h12-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyZCDUTRZHNLGVLM-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.83
Rot. Bonds3

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

5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106476764) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106476764
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)c(C)c(C)[nH]2)CC1
InChIInChI=1S/C15H24N2S/c1-4-5-12-6-8-13(9-7-12)14-16-11(3)10(2)15(18)17-14/h12-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyZCDUTRZHNLGVLM-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
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

6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106478274
5-ethyl-6-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477015
6-methyl-5-propan-2-yl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106478025
5,6-dimethyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106476727
2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482825
2-(4-propylcyclohexyl)-1H-pyrimidine-6-thione
CID 106476511
5-bromo-2-(4-tert-butylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479135
2-cyclopropyl-4-ethyl-5-methyl-1H-imidazole
CID 123293833
6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106516192
2-(4,4-dimethylcyclohexyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477842
5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione
CID 106476770
6-ethyl-5-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402391

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (CID 106476764) is 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione is CCCC1CCC(c2nc(=S)c(C)c(C)[nH]2)CC1.
What is the InChIKey of 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is ZCDUTRZHNLGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-5-12-6-8-13(9-7-12)14-16-11(3)10(2)15(18)17-14/h12-13H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 264.44 g/mol, XLogP of 4.83, 3 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-propylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).