N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C19H26N6 — CID 744464

IUPACN-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H26N6/c1-4-10-16(11-5-1)20-17-21-18(24-12-6-2-7-13-24)23-19(22-17)25-14-8-3-9-15-25/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,20,21,22,23)
InChIKeyUMVZIYQNOLOHNI-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.60
Rot. Bonds4

About N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 744464) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID744464
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H26N6/c1-4-10-16(11-5-1)20-17-21-18(24-12-6-2-7-13-24)23-19(22-17)25-14-8-3-9-15-25/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,20,21,22,23)
InChIKeyUMVZIYQNOLOHNI-UHFFFAOYSA-N
XLogP3.60
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 744464) is N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is UMVZIYQNOLOHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-4-10-16(11-5-1)20-17-21-18(24-12-6-2-7-13-24)23-19(22-17)25-14-8-3-9-15-25/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,20,21,22,23).
What are the key properties of N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 338.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 744464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).