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

C25H28FN7O3 — CID 94845113

IUPACN-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccccc1COc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H28FN7O3/c26-22-7-2-1-5-20(22)18-36-21-6-3-4-19(16-21)17-27-31-23-28-24(32-8-12-34-13-9-32)30-25(29-23)33-10-14-35-15-11-33/h1-7,16-17H,8-15,18H2,(H,28,29,30,31)/b27-17-
InChIKeyFJXQBOSSPLQQFL-PKAZHMFMSA-N
MW493.54 g/mol
LogP2.71
Rot. Bonds8

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

N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 94845113) has the molecular formula C25H28FN7O3 and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID94845113
Molecular FormulaC25H28FN7O3
Molecular Weight493.54 g/mol
Exact Mass493.22
IUPAC NameN-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccccc1COc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H28FN7O3/c26-22-7-2-1-5-20(22)18-36-21-6-3-4-19(16-21)17-27-31-23-28-24(32-8-12-34-13-9-32)30-25(29-23)33-10-14-35-15-11-33/h1-7,16-17H,8-15,18H2,(H,28,29,30,31)/b27-17-
InChIKeyFJXQBOSSPLQQFL-PKAZHMFMSA-N
XLogP2.71
TPSA97.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 52.71
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-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 94845097
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5340932
2-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 98095089
N-[(E)-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 50870679
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 50870526
[3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5334072
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849185
2-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
CID 6075670
2-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 50870677
2-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3117575
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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 94845113) is N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Fc1ccccc1COc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is FJXQBOSSPLQQFL-PKAZHMFMSA-N. The full InChI is InChI=1S/C25H28FN7O3/c26-22-7-2-1-5-20(22)18-36-21-6-3-4-19(16-21)17-27-31-23-28-24(32-8-12-34-13-9-32)30-25(29-23)33-10-14-35-15-11-33/h1-7,16-17H,8-15,18H2,(H,28,29,30,31)/b27-17-.
What are the key properties of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 493.54 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 94845113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).