6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione

C16H26N2S — CID 106475386

IUPAC6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CCC(C(C)C)CC2)[nH]1
InChIInChI=1S/C16H26N2S/c1-10(2)12-5-7-13(8-6-12)16-17-14(11(3)4)9-15(19)18-16/h9-13H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyURDSBASKWTXKIU-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.19
Rot. Bonds3

About 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione

6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106475386) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106475386
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CCC(C(C)C)CC2)[nH]1
InChIInChI=1S/C16H26N2S/c1-10(2)12-5-7-13(8-6-12)16-17-14(11(3)4)9-15(19)18-16/h9-13H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyURDSBASKWTXKIU-UHFFFAOYSA-N
XLogP5.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.19
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-propan-2-yl-1H-pyrimidine-4-thione
CID 114217011
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-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
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-cyclopentyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475301

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione (CID 106475386) is 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(C2CCC(C(C)C)CC2)[nH]1.
What is the InChIKey of 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is URDSBASKWTXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-10(2)12-5-7-13(8-6-12)16-17-14(11(3)4)9-15(19)18-16/h9-13H,5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 278.46 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).