N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C27H32ClN7O — CID 5340932

IUPACN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESClc1ccccc1COc1cccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C27H32ClN7O/c28-24-13-4-3-11-22(24)20-36-23-12-9-10-21(18-23)19-29-33-25-30-26(34-14-5-1-6-15-34)32-27(31-25)35-16-7-2-8-17-35/h3-4,9-13,18-19H,1-2,5-8,14-17,20H2,(H,30,31,32,33)/b29-19+
InChIKeyCFWVCCYIPUORLN-VUTHCHCSSA-N
MW506.05 g/mol
LogP5.53
Rot. Bonds8

About N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 5340932) has the molecular formula C27H32ClN7O and a molecular weight of 506.05 g/mol. Its IUPAC name is N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID5340932
Molecular FormulaC27H32ClN7O
Molecular Weight506.05 g/mol
Exact Mass505.24
IUPAC NameN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESClc1ccccc1COc1cccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C27H32ClN7O/c28-24-13-4-3-11-22(24)20-36-23-12-9-10-21(18-23)19-29-33-25-30-26(34-14-5-1-6-15-34)32-27(31-25)35-16-7-2-8-17-35/h3-4,9-13,18-19H,1-2,5-8,14-17,20H2,(H,30,31,32,33)/b29-19+
InChIKeyCFWVCCYIPUORLN-VUTHCHCSSA-N
XLogP5.53
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.05
LogP ≤ 55.53
H-Bond Donors ≤ 51
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-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 5340657
2-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3117575
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 94845113
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 46495826
N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 94845097
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-[3-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6024761
2-[3-[[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4022763
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3871763
2-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3257894
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 5340932) is N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is Clc1ccccc1COc1cccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is CFWVCCYIPUORLN-VUTHCHCSSA-N. The full InChI is InChI=1S/C27H32ClN7O/c28-24-13-4-3-11-22(24)20-36-23-12-9-10-21(18-23)19-29-33-25-30-26(34-14-5-1-6-15-34)32-27(31-25)35-16-7-2-8-17-35/h3-4,9-13,18-19H,1-2,5-8,14-17,20H2,(H,30,31,32,33)/b29-19+.
What are the key properties of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 506.05 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 5340932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).