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

C19H18Br2FN7O — CID 6143526

IUPAC4-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
SMILESCOc1c(Br)cc(Br)cc1/C=N\Nc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C19H18Br2FN7O/c1-29(2)19-26-17(24-14-6-4-13(22)5-7-14)25-18(27-19)28-23-10-11-8-12(20)9-15(21)16(11)30-3/h4-10H,1-3H3,(H2,24,25,26,27,28)/b23-10-
InChIKeyYWJZTZKOOAWDBZ-RMORIDSASA-N
MW539.21 g/mol
LogP4.80
Rot. Bonds7

About 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

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 (PubChem CID 6143526) has the molecular formula C19H18Br2FN7O and a molecular weight of 539.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID6143526
Molecular FormulaC19H18Br2FN7O
Molecular Weight539.21 g/mol
Exact Mass536.99
IUPAC Name4-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
SMILESCOc1c(Br)cc(Br)cc1/C=N\Nc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C19H18Br2FN7O/c1-29(2)19-26-17(24-14-6-4-13(22)5-7-14)25-18(27-19)28-23-10-11-8-12(20)9-15(21)16(11)30-3/h4-10H,1-3H3,(H2,24,25,26,27,28)/b23-10-
InChIKeyYWJZTZKOOAWDBZ-RMORIDSASA-N
XLogP4.80
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.21
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 73449375
2,4-dibromo-6-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135472465
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
2-N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171979391
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
4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 4213211
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dibromophenol
CID 135419784
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-bromo-3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 3101860
2-N-[(E)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 50870627
6-N-(4-fluorophenyl)-4-N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 3111792
2-N-[(E)-(3,5-diiodo-2-methoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 90486035

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(Br)cc(Br)cc1/C=N\Nc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1.
What is the InChIKey of 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?
The InChIKey is YWJZTZKOOAWDBZ-RMORIDSASA-N. The full InChI is InChI=1S/C19H18Br2FN7O/c1-29(2)19-26-17(24-14-6-4-13(22)5-7-14)25-18(27-19)28-23-10-11-8-12(20)9-15(21)16(11)30-3/h4-10H,1-3H3,(H2,24,25,26,27,28)/b23-10-.
What are the key properties of 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?
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 has a molecular weight of 539.21 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 6143526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).