N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C16H28N6O — CID 810976

IUPACN-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H28N6O/c1-16(2,3)20-13-17-14(21-7-5-4-6-8-21)19-15(18-13)22-9-11-23-12-10-22/h4-12H2,1-3H3,(H,17,18,19,20)
InChIKeyPSADCQJMIXHRDI-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.91
Rot. Bonds3

About N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 810976) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID810976
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC NameN-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H28N6O/c1-16(2,3)20-13-17-14(21-7-5-4-6-8-21)19-15(18-13)22-9-11-23-12-10-22/h4-12H2,1-3H3,(H,17,18,19,20)
InChIKeyPSADCQJMIXHRDI-UHFFFAOYSA-N
XLogP1.91
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 810976) is N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CC(C)(C)Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PSADCQJMIXHRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-16(2,3)20-13-17-14(21-7-5-4-6-8-21)19-15(18-13)22-9-11-23-12-10-22/h4-12H2,1-3H3,(H,17,18,19,20).
What are the key properties of N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 320.44 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 810976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).