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

C18H21Cl2N7O2 — CID 5341067

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C18H21Cl2N7O2/c19-14-2-1-13(15(20)11-14)12-21-25-16-22-17(26-3-7-28-8-4-26)24-18(23-16)27-5-9-29-10-6-27/h1-2,11-12H,3-10H2,(H,22,23,24,25)/b21-12+
InChIKeyKDDHKLOQMSRJHP-CIAFOILYSA-N
MW438.32 g/mol
LogP2.30
Rot. Bonds5

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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 5341067) has the molecular formula C18H21Cl2N7O2 and a molecular weight of 438.32 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID5341067
Molecular FormulaC18H21Cl2N7O2
Molecular Weight438.32 g/mol
Exact Mass437.11
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C18H21Cl2N7O2/c19-14-2-1-13(15(20)11-14)12-21-25-16-22-17(26-3-7-28-8-4-26)24-18(23-16)27-5-9-29-10-6-27/h1-2,11-12H,3-10H2,(H,22,23,24,25)/b21-12+
InChIKeyKDDHKLOQMSRJHP-CIAFOILYSA-N
XLogP2.30
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 5341067) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Clc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(Cl)c1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KDDHKLOQMSRJHP-CIAFOILYSA-N. The full InChI is InChI=1S/C18H21Cl2N7O2/c19-14-2-1-13(15(20)11-14)12-21-25-16-22-17(26-3-7-28-8-4-26)24-18(23-16)27-5-9-29-10-6-27/h1-2,11-12H,3-10H2,(H,22,23,24,25)/b21-12+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 438.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5341067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).