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

C19H25F3N6O — CID 117085131

IUPAC4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25F3N6O/c1-3-27(4-2)17-24-16(25-18(26-17)28-8-10-29-11-9-28)23-13-14-6-5-7-15(12-14)19(20,21)22/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,23,24,25,26)
InChIKeyLSAMIFULEBPBKF-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.19
Rot. Bonds7

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

4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 117085131) has the molecular formula C19H25F3N6O and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID117085131
Molecular FormulaC19H25F3N6O
Molecular Weight410.44 g/mol
Exact Mass410.20
IUPAC Name4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25F3N6O/c1-3-27(4-2)17-24-16(25-18(26-17)28-8-10-29-11-9-28)23-13-14-6-5-7-15(12-14)19(20,21)22/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,23,24,25,26)
InChIKeyLSAMIFULEBPBKF-UHFFFAOYSA-N
XLogP3.19
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (CID 117085131) is 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LSAMIFULEBPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O/c1-3-27(4-2)17-24-16(25-18(26-17)28-8-10-29-11-9-28)23-13-14-6-5-7-15(12-14)19(20,21)22/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 410.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117085131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).