N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine

C24H19FN4 — CID 2848311

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
SMILESCC(=NNc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H19FN4/c1-17(18-12-14-21(25)15-13-18)28-29-23-16-22(19-8-4-2-5-9-19)26-24(27-23)20-10-6-3-7-11-20/h2-16H,1H3,(H,26,27,29)
InChIKeyTWNCWYDLIUEASC-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.79
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine

N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine (PubChem CID 2848311) has the molecular formula C24H19FN4 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
PubChem CID2848311
Molecular FormulaC24H19FN4
Molecular Weight382.44 g/mol
Exact Mass382.16
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
SMILESCC(=NNc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H19FN4/c1-17(18-12-14-21(25)15-13-18)28-29-23-16-22(19-8-4-2-5-9-19)26-24(27-23)20-10-6-3-7-11-20/h2-16H,1H3,(H,26,27,29)
InChIKeyTWNCWYDLIUEASC-UHFFFAOYSA-N
XLogP5.79
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine (CID 2848311) is N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine is CC(=NNc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine?
The InChIKey is TWNCWYDLIUEASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4/c1-17(18-12-14-21(25)15-13-18)28-29-23-16-22(19-8-4-2-5-9-19)26-24(27-23)20-10-6-3-7-11-20/h2-16H,1H3,(H,26,27,29).
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine?
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine has a molecular weight of 382.44 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 2848311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).