4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C18H18FN7 — CID 4213211

IUPAC4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NN=Cc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN7/c1-26(2)18-23-16(21-15-10-8-14(19)9-11-15)22-17(24-18)25-20-12-13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,22,23,24,25)
InChIKeyZTRGUTYNDAMQMV-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.27
Rot. Bonds6

About 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 4213211) has the molecular formula C18H18FN7 and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID4213211
Molecular FormulaC18H18FN7
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NN=Cc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN7/c1-26(2)18-23-16(21-15-10-8-14(19)9-11-15)22-17(24-18)25-20-12-13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,22,23,24,25)
InChIKeyZTRGUTYNDAMQMV-UHFFFAOYSA-N
XLogP3.27
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine 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

6-N-(4-fluorophenyl)-4-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 90484450
6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-4-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 2833185
6-N-benzyl-4-N-[(E)-benzylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 146051345
4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 3098509
2,4-dibromo-6-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135472465
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
CID 91073006
4-N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 6143526
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-4-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 2860242
4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80737154
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796

Frequently Asked Questions

What is the IUPAC name of 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 4213211) is 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(NN=Cc2ccccc2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZTRGUTYNDAMQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7/c1-26(2)18-23-16(21-15-10-8-14(19)9-11-15)22-17(24-18)25-20-12-13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 351.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 4213211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).