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

C18H21ClFN7O2 — CID 3293351

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(Cl)c1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21ClFN7O2/c19-14-2-1-3-15(20)13(14)12-21-25-16-22-17(26-4-8-28-9-5-26)24-18(23-16)27-6-10-29-11-7-27/h1-3,12H,4-11H2,(H,22,23,24,25)
InChIKeyHFSCULGRAOKAPA-UHFFFAOYSA-N
MW421.86 g/mol
LogP1.78
Rot. Bonds5

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

N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3293351) has the molecular formula C18H21ClFN7O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3293351
Molecular FormulaC18H21ClFN7O2
Molecular Weight421.86 g/mol
Exact Mass421.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(Cl)c1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21ClFN7O2/c19-14-2-1-3-15(20)13(14)12-21-25-16-22-17(26-4-8-28-9-5-26)24-18(23-16)27-6-10-29-11-7-27/h1-3,12H,4-11H2,(H,22,23,24,25)
InChIKeyHFSCULGRAOKAPA-UHFFFAOYSA-N
XLogP1.78
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 51.78
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-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 3293351) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Fc1cccc(Cl)c1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HFSCULGRAOKAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN7O2/c19-14-2-1-3-15(20)13(14)12-21-25-16-22-17(26-4-8-28-9-5-26)24-18(23-16)27-6-10-29-11-7-27/h1-3,12H,4-11H2,(H,22,23,24,25).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 421.86 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3293351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).