2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine

C21H23F3N6O2 — CID 171851457

About 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine

2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851457) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
• PubChem CID: 171851457
• Molecular Formula: C21H23F3N6O2
• Molecular Weight: 448.45 g/mol
• Exact Mass: 448.18
• IUPAC Name: 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
• SMILES: COc1cccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C21H23F3N6O2/c1-31-17-7-3-5-15(13-17)26-19-27-18(25)28-20(29-8-10-32-11-9-29)30(19)16-6-2-4-14(12-16)21(22,23)24/h2-7,12-13,19,26H,8-11H2,1H3,(H2,25,27)
• InChIKey: AXRWMTOTDUWLDN-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 87.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.45
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine (CID 171851457) is 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine is COc1cccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C(F)(F)F)c2)c1.

What is the InChIKey of 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?

The InChIKey is AXRWMTOTDUWLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c1-31-17-7-3-5-15(13-17)26-19-27-18(25)28-20(29-8-10-32-11-9-29)30(19)16-6-2-4-14(12-16)21(22,23)24/h2-7,12-13,19,26H,8-11H2,1H3,(H2,25,27).

What are the key properties of 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?

2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 448.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).