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

C21H21F3N6O2 — CID 42065581

IUPAC2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H21F3N6O2/c1-31-17-8-6-16(7-9-17)26-19-27-18(28-20(29-19)30-10-12-32-13-11-30)25-15-4-2-14(3-5-15)21(22,23)24/h2-9H,10-13H2,1H3,(H2,25,26,27,28,29)
InChIKeyWHAWFXRYSWJWDH-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.22
Rot. Bonds6

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

2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 42065581) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID42065581
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H21F3N6O2/c1-31-17-8-6-16(7-9-17)26-19-27-18(28-20(29-19)30-10-12-32-13-11-30)25-15-4-2-14(3-5-15)21(22,23)24/h2-9H,10-13H2,1H3,(H2,25,26,27,28,29)
InChIKeyWHAWFXRYSWJWDH-UHFFFAOYSA-N
XLogP4.22
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(4-(2-(dimethylamino)ethoxy)phenyl)urea
CID 46884588
4-chloro-N-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1202188
[1,3,5]Triazine-2,4-diamine, 6-chloro-N-(4-methoxyphenyl)-N'-(3-trifluoromethylphenyl)-
CID 3620709
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 16721099
4,6-dimorpholino-N-(4-(trifluoromethoxy)phenyl)-1,3,5-triazin-2-amine hydrochloride
CID 16800054
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(4-methoxy-phenyl)-amine
CID 1158979
4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1158975
2-[(4-{[2-Methoxy-5-(trifluoromethyl)phenyl]amino}-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)amino]ethan-1-ol
CID 23648032
6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 665945
6-[(4-benzylpiperazin-1-yl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667344
(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yl)-(4-ethoxy-phenyl)-amine
CID 1113670

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 42065581) is 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WHAWFXRYSWJWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-31-17-8-6-16(7-9-17)26-19-27-18(28-20(29-19)30-10-12-32-13-11-30)25-15-4-2-14(3-5-15)21(22,23)24/h2-9H,10-13H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 446.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42065581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).