N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H24N6O2 — CID 1068729

IUPACN-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESc1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-2-4-15(5-3-1)14-19-16-20-17(23-6-10-25-11-7-23)22-18(21-16)24-8-12-26-13-9-24/h1-5H,6-14H2,(H,19,20,21,22)
InChIKeyQNWZQLGRNOWGTN-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.16
Rot. Bonds5

About N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1068729) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1068729
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESc1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-2-4-15(5-3-1)14-19-16-20-17(23-6-10-25-11-7-23)22-18(21-16)24-8-12-26-13-9-24/h1-5H,6-14H2,(H,19,20,21,22)
InChIKeyQNWZQLGRNOWGTN-UHFFFAOYSA-N
XLogP1.16
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1068729) is N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is c1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is QNWZQLGRNOWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-2-4-15(5-3-1)14-19-16-20-17(23-6-10-25-11-7-23)22-18(21-16)24-8-12-26-13-9-24/h1-5H,6-14H2,(H,19,20,21,22).
What are the key properties of N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1068729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).