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

C19H22F3N7O2 — CID 3096178

IUPAC4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22F3N7O2/c20-19(21,22)15-3-1-14(2-4-15)13-23-27-16-24-17(28-5-9-30-10-6-28)26-18(25-16)29-7-11-31-12-8-29/h1-4,13H,5-12H2,(H,24,25,26,27)
InChIKeyIQYRVSWMSDXHFR-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.01
Rot. Bonds5

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

4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine (PubChem CID 3096178) has the molecular formula C19H22F3N7O2 and a molecular weight of 437.43 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
PubChem CID3096178
Molecular FormulaC19H22F3N7O2
Molecular Weight437.43 g/mol
Exact Mass437.18
IUPAC Name4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22F3N7O2/c20-19(21,22)15-3-1-14(2-4-15)13-23-27-16-24-17(28-5-9-30-10-6-28)26-18(25-16)29-7-11-31-12-8-29/h1-4,13H,5-12H2,(H,24,25,26,27)
InChIKeyIQYRVSWMSDXHFR-UHFFFAOYSA-N
XLogP2.01
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine 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

N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
2-N-[(4-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 75611620
4-[[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile
CID 5196485
4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
CID 34360960
2-N,4-N-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 169448282
4-[[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3106803
4-[(E)-[[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;hydrochloride
CID 136611933
N-[(3,5-dimethoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2848777
4-[(2E)-2-benzylidenehydrazinyl]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 110178614
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162
4-N-benzyl-6-morpholin-4-yl-2-N-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962061
N-[(3,4-diethoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 5050991

Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine (CID 3096178) is 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine is FC(F)(F)c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The InChIKey is IQYRVSWMSDXHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O2/c20-19(21,22)15-3-1-14(2-4-15)13-23-27-16-24-17(28-5-9-30-10-6-28)26-18(25-16)29-7-11-31-12-8-29/h1-4,13H,5-12H2,(H,24,25,26,27).
What are the key properties of 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine has a molecular weight of 437.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine is sourced from PubChem (CID 3096178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).