4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine

C13H19N7O — CID 80879177

IUPAC4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCCN2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c14-11-16-12(20-7-4-15-10-20)18-13(17-11)21-9-8-19-5-2-1-3-6-19/h4,7,10H,1-3,5-6,8-9H2,(H2,14,16,17,18)
InChIKeyCLPUHLFDQFAAMV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.50
Rot. Bonds5

About 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine (PubChem CID 80879177) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine
PubChem CID80879177
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCCN2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c14-11-16-12(20-7-4-15-10-20)18-13(17-11)21-9-8-19-5-2-1-3-6-19/h4,7,10H,1-3,5-6,8-9H2,(H2,14,16,17,18)
InChIKeyCLPUHLFDQFAAMV-UHFFFAOYSA-N
XLogP0.50
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine (CID 80879177) is 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine is Nc1nc(OCCN2CCCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine?
The InChIKey is CLPUHLFDQFAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c14-11-16-12(20-7-4-15-10-20)18-13(17-11)21-9-8-19-5-2-1-3-6-19/h4,7,10H,1-3,5-6,8-9H2,(H2,14,16,17,18).
What are the key properties of 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).