4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine

C13H20N4O — CID 65330264

IUPAC4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCC2)nc(C2CCCO2)n1
InChIInChI=1S/C13H20N4O/c14-13-16-11(9-5-2-1-3-6-9)15-12(17-13)10-7-4-8-18-10/h9-10H,1-8H2,(H2,14,15,16,17)
InChIKeyYGNMNDGTYIHPMR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.35
Rot. Bonds2

About 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 65330264) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
PubChem CID65330264
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCC2)nc(C2CCCO2)n1
InChIInChI=1S/C13H20N4O/c14-13-16-11(9-5-2-1-3-6-9)15-12(17-13)10-7-4-8-18-10/h9-10H,1-8H2,(H2,14,15,16,17)
InChIKeyYGNMNDGTYIHPMR-UHFFFAOYSA-N
XLogP2.35
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (CID 65330264) is 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is Nc1nc(C2CCCCC2)nc(C2CCCO2)n1.
What is the InChIKey of 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is YGNMNDGTYIHPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13-16-11(9-5-2-1-3-6-9)15-12(17-13)10-7-4-8-18-10/h9-10H,1-8H2,(H2,14,15,16,17).
What are the key properties of 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65330264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).