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

C22H25F3N6O — CID 171851492

IUPAC2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H25F3N6O/c1-14-10-15(2)12-17(11-14)27-20-28-19(26)29-21(30-6-8-32-9-7-30)31(20)18-5-3-4-16(13-18)22(23,24)25/h3-5,10-13,20,27H,6-9H2,1-2H3,(H2,26,28)
InChIKeyZWEBVCSGZRXWCW-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.54
Rot. Bonds3

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

2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851492) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851492
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC Name2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H25F3N6O/c1-14-10-15(2)12-17(11-14)27-20-28-19(26)29-21(30-6-8-32-9-7-30)31(20)18-5-3-4-16(13-18)22(23,24)25/h3-5,10-13,20,27H,6-9H2,1-2H3,(H2,26,28)
InChIKeyZWEBVCSGZRXWCW-UHFFFAOYSA-N
XLogP3.54
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851457
2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851474
2-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851480
2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851420
2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851323
2-N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851446
2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851322
2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851387
2-N-(3-fluorophenyl)-1-(4-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851288
2-N-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851498
2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851280
2-N-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851086

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine (CID 171851492) is 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is ZWEBVCSGZRXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-14-10-15(2)12-17(11-14)27-20-28-19(26)29-21(30-6-8-32-9-7-30)31(20)18-5-3-4-16(13-18)22(23,24)25/h3-5,10-13,20,27H,6-9H2,1-2H3,(H2,26,28).
What are the key properties of 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 446.48 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).