4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C19H24F3N7O — CID 3236802

IUPAC4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H24F3N7O/c1-27-5-7-28(8-6-27)17-24-16(25-18(26-17)29-9-11-30-12-10-29)23-15-4-2-3-14(13-15)19(20,21)22/h2-4,13H,5-12H2,1H3,(H,23,24,25,26)
InChIKeyKBJNMSFZNNKLAR-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.22
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 3236802) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID3236802
Molecular FormulaC19H24F3N7O
Molecular Weight423.44 g/mol
Exact Mass423.20
IUPAC Name4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H24F3N7O/c1-27-5-7-28(8-6-27)17-24-16(25-18(26-17)29-9-11-30-12-10-29)23-15-4-2-3-14(13-15)19(20,21)22/h2-4,13H,5-12H2,1H3,(H,23,24,25,26)
InChIKeyKBJNMSFZNNKLAR-UHFFFAOYSA-N
XLogP2.22
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 3236802) is 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CN1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is KBJNMSFZNNKLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-27-5-7-28(8-6-27)17-24-16(25-18(26-17)29-9-11-30-12-10-29)23-15-4-2-3-14(13-15)19(20,21)22/h2-4,13H,5-12H2,1H3,(H,23,24,25,26).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 423.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 3236802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).