N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine

C23H17FN4 — CID 5332811

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
SMILESFc1cccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H17FN4/c24-20-13-7-8-17(14-20)16-25-28-22-15-21(18-9-3-1-4-10-18)26-23(27-22)19-11-5-2-6-12-19/h1-16H,(H,26,27,28)/b25-16+
InChIKeyBZJBHNDEROHVMG-PCLIKHOPSA-N
MW368.42 g/mol
LogP5.40
Rot. Bonds5

About N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine

N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine (PubChem CID 5332811) has the molecular formula C23H17FN4 and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
PubChem CID5332811
Molecular FormulaC23H17FN4
Molecular Weight368.42 g/mol
Exact Mass368.14
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
SMILESFc1cccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H17FN4/c24-20-13-7-8-17(14-20)16-25-28-22-15-21(18-9-3-1-4-10-18)26-23(27-22)19-11-5-2-6-12-19/h1-16H,(H,26,27,28)/b25-16+
InChIKeyBZJBHNDEROHVMG-PCLIKHOPSA-N
XLogP5.40
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.40
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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Related Compounds

2-(4-bromophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
CID 5338828
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
CID 827706
N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
CID 3107053
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135907237
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
CID 2842279
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787633
3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
CID 3622419
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine (CID 5332811) is N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine is Fc1cccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
The InChIKey is BZJBHNDEROHVMG-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H17FN4/c24-20-13-7-8-17(14-20)16-25-28-22-15-21(18-9-3-1-4-10-18)26-23(27-22)19-11-5-2-6-12-19/h1-16H,(H,26,27,28)/b25-16+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine has a molecular weight of 368.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 5332811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).