2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione

C15H24N2S — CID 106475279

IUPAC2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCCC(CC)C2)[nH]1
InChIInChI=1S/C15H24N2S/c1-3-6-13-10-14(18)17-15(16-13)12-8-5-7-11(4-2)9-12/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyDWYQIMHQBVDAMI-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.78
Rot. Bonds4

About 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione

2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475279) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475279
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCCC(CC)C2)[nH]1
InChIInChI=1S/C15H24N2S/c1-3-6-13-10-14(18)17-15(16-13)12-8-5-7-11(4-2)9-12/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyDWYQIMHQBVDAMI-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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Related Compounds

2-Methyl-4-(1-adamantyl)-6-thiopyrimidine
CID 90716160
2-(3,3-difluorocyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 114217011
4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine
CID 139479300
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
2-(2-bicyclo[2.2.1]heptanyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475061
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-(1-adamantyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475122
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475279) is 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCCC(CC)C2)[nH]1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is DWYQIMHQBVDAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-6-13-10-14(18)17-15(16-13)12-8-5-7-11(4-2)9-12/h10-12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
2-(3-ethylcyclohexyl)-6-propyl-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 2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).