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

C19H23ClFN7O — CID 6032128

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(Cl)c1/C=N\Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23ClFN7O/c20-15-5-4-6-16(21)14(15)13-22-26-17-23-18(27-7-2-1-3-8-27)25-19(24-17)28-9-11-29-12-10-28/h4-6,13H,1-3,7-12H2,(H,23,24,25,26)/b22-13-
InChIKeyLMDVXHWSQMHVPZ-XKZIYDEJSA-N
MW419.89 g/mol
LogP2.94
Rot. Bonds5

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

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 6032128) has the molecular formula C19H23ClFN7O and a molecular weight of 419.89 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID6032128
Molecular FormulaC19H23ClFN7O
Molecular Weight419.89 g/mol
Exact Mass419.16
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(Cl)c1/C=N\Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23ClFN7O/c20-15-5-4-6-16(21)14(15)13-22-26-17-23-18(27-7-2-1-3-8-27)25-19(24-17)28-9-11-29-12-10-28/h4-6,13H,1-3,7-12H2,(H,23,24,25,26)/b22-13-
InChIKeyLMDVXHWSQMHVPZ-XKZIYDEJSA-N
XLogP2.94
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 6032128) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Fc1cccc(Cl)c1/C=N\Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is LMDVXHWSQMHVPZ-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H23ClFN7O/c20-15-5-4-6-16(21)14(15)13-22-26-17-23-18(27-7-2-1-3-8-27)25-19(24-17)28-9-11-29-12-10-28/h4-6,13H,1-3,7-12H2,(H,23,24,25,26)/b22-13-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 419.89 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 6032128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).