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

C25H27Cl2N7O3 — CID 2849185

IUPACN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(COc2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c(Cl)c1
InChIInChI=1S/C25H27Cl2N7O3/c26-20-4-3-19(22(27)15-20)17-37-21-5-1-18(2-6-21)16-28-32-23-29-24(33-7-11-35-12-8-33)31-25(30-23)34-9-13-36-14-10-34/h1-6,15-16H,7-14,17H2,(H,29,30,31,32)
InChIKeyZRFLVWAUHMLWMM-UHFFFAOYSA-N
MW544.44 g/mol
LogP3.88
Rot. Bonds8

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

N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 2849185) has the molecular formula C25H27Cl2N7O3 and a molecular weight of 544.44 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID2849185
Molecular FormulaC25H27Cl2N7O3
Molecular Weight544.44 g/mol
Exact Mass543.16
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(COc2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c(Cl)c1
InChIInChI=1S/C25H27Cl2N7O3/c26-20-4-3-19(22(27)15-20)17-37-21-5-1-18(2-6-21)16-28-32-23-29-24(33-7-11-35-12-8-33)31-25(30-23)34-9-13-36-14-10-34/h1-6,15-16H,7-14,17H2,(H,29,30,31,32)
InChIKeyZRFLVWAUHMLWMM-UHFFFAOYSA-N
XLogP3.88
TPSA97.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3459854
6-(4-benzylpiperidin-1-yl)-2-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 3114165
2-[(2,4-dichlorophenyl)methoxy]-5-[(E)-[[4-(2,4-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 143764661
2-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,3-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 146050795
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 94845113
2-N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 5340657
N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 94845097
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
N-[(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3938710
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5340932
2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962128

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 2849185) is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Clc1ccc(COc2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c(Cl)c1.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is ZRFLVWAUHMLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N7O3/c26-20-4-3-19(22(27)15-20)17-37-21-5-1-18(2-6-21)16-28-32-23-29-24(33-7-11-35-12-8-33)31-25(30-23)34-9-13-36-14-10-34/h1-6,15-16H,7-14,17H2,(H,29,30,31,32).
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 544.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2849185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).