4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine

C20H21N5O — CID 141438948

IUPAC4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2ncnc(-c3ccccc3CN3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N5O/c1-2-7-17(8-3-1)23-20-22-15-21-19(24-20)18-9-5-4-6-16(18)14-25-10-12-26-13-11-25/h1-9,15H,10-14H2,(H,21,22,23,24)
InChIKeyQJKDTBPMGFQNOJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.11
Rot. Bonds5

About 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine

4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 141438948) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine
PubChem CID141438948
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2ncnc(-c3ccccc3CN3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N5O/c1-2-7-17(8-3-1)23-20-22-15-21-19(24-20)18-9-5-4-6-16(18)14-25-10-12-26-13-11-25/h1-9,15H,10-14H2,(H,21,22,23,24)
InChIKeyQJKDTBPMGFQNOJ-UHFFFAOYSA-N
XLogP3.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine (CID 141438948) is 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine is c1ccc(Nc2ncnc(-c3ccccc3CN3CCOCC3)n2)cc1.
What is the InChIKey of 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is QJKDTBPMGFQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-7-17(8-3-1)23-20-22-15-21-19(24-20)18-9-5-4-6-16(18)14-25-10-12-26-13-11-25/h1-9,15H,10-14H2,(H,21,22,23,24).
What are the key properties of 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine?
4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(morpholin-4-ylmethyl)phenyl]-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 141438948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).