4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine

C19H26N6O2 — CID 42477654

IUPAC4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H26N6O2/c1-2-4-16(5-3-1)6-7-20-17-21-18(24-8-12-26-13-9-24)23-19(22-17)25-10-14-27-15-11-25/h1-5H,6-15H2,(H,20,21,22,23)
InChIKeyQOMHXPIAWMUJCN-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.20
Rot. Bonds6

About 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine

4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine (PubChem CID 42477654) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine
PubChem CID42477654
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H26N6O2/c1-2-4-16(5-3-1)6-7-20-17-21-18(24-8-12-26-13-9-24)23-19(22-17)25-10-14-27-15-11-25/h1-5H,6-15H2,(H,20,21,22,23)
InChIKeyQOMHXPIAWMUJCN-UHFFFAOYSA-N
XLogP1.20
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine (CID 42477654) is 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine is c1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
The InChIKey is QOMHXPIAWMUJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-4-16(5-3-1)6-7-20-17-21-18(24-8-12-26-13-9-24)23-19(22-17)25-10-14-27-15-11-25/h1-5H,6-15H2,(H,20,21,22,23).
What are the key properties of 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine has a molecular weight of 370.46 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-(2-phenylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 42477654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).