4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C18H16Cl2FN7 — CID 3098509

IUPAC4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NN=Cc2ccc(Cl)cc2Cl)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H16Cl2FN7/c1-28(2)18-25-16(23-14-7-5-13(21)6-8-14)24-17(26-18)27-22-10-11-3-4-12(19)9-15(11)20/h3-10H,1-2H3,(H2,23,24,25,26,27)
InChIKeyCXHQRIGBXOFEFZ-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.57
Rot. Bonds6

About 4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 3098509) has the molecular formula C18H16Cl2FN7 and a molecular weight of 420.28 g/mol. Its IUPAC name is 4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID3098509
Molecular FormulaC18H16Cl2FN7
Molecular Weight420.28 g/mol
Exact Mass419.08
IUPAC Name4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NN=Cc2ccc(Cl)cc2Cl)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H16Cl2FN7/c1-28(2)18-25-16(23-14-7-5-13(21)6-8-14)24-17(26-18)27-22-10-11-3-4-12(19)9-15(11)20/h3-10H,1-2H3,(H2,23,24,25,26,27)
InChIKeyCXHQRIGBXOFEFZ-UHFFFAOYSA-N
XLogP4.57
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.57
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'}

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Related Compounds

4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 4213211
2,4-dibromo-6-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135472465
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
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
2-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962050
2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine
CID 172948693
6-N-benzyl-4-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 6092695
2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 135531648
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
2-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 163332898

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 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) is 4-N-[(2,4-dichlorophenyl)methylideneamino]-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-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(NN=Cc2ccc(Cl)cc2Cl)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CXHQRIGBXOFEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN7/c1-28(2)18-25-16(23-14-7-5-13(21)6-8-14)24-17(26-18)27-22-10-11-3-4-12(19)9-15(11)20/h3-10H,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 420.28 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dichlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 3098509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).