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

C18H23F3N6O — CID 1377568

IUPAC4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23F3N6O/c1-3-26(4-2)16-23-15(24-17(25-16)27-8-10-28-11-9-27)22-14-7-5-6-13(12-14)18(19,20)21/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,23,24,25)
InChIKeyMROQDULTSNRLGF-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.32
Rot. Bonds6

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

4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 1377568) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID1377568
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC Name4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23F3N6O/c1-3-26(4-2)16-23-15(24-17(25-16)27-8-10-28-11-9-27)22-14-7-5-6-13(12-14)18(19,20)21/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,23,24,25)
InChIKeyMROQDULTSNRLGF-UHFFFAOYSA-N
XLogP3.32
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4-[[4-(2,6-Difluoro-4-methyl-anilino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 72163599
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1089222

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-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]-1,3,5-triazine-2,4-diamine (CID 1377568) is 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-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]-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]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2cccc(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]-1,3,5-triazine-2,4-diamine?
The InChIKey is MROQDULTSNRLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-3-26(4-2)16-23-15(24-17(25-16)27-8-10-28-11-9-27)22-14-7-5-6-13(12-14)18(19,20)21/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,23,24,25).
What are the key properties of 4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 396.42 g/mol, XLogP of 3.32, 6 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]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1377568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).