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

C23H17BrN4 — CID 5338896

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
SMILESBrc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17BrN4/c24-20-13-11-17(12-14-20)16-25-28-22-15-21(18-7-3-1-4-8-18)26-23(27-22)19-9-5-2-6-10-19/h1-16H,(H,26,27,28)/b25-16+
InChIKeyCYWAKAIZJBYRED-PCLIKHOPSA-N
MW429.32 g/mol
LogP6.02
Rot. Bonds5

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

N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine (PubChem CID 5338896) has the molecular formula C23H17BrN4 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
PubChem CID5338896
Molecular FormulaC23H17BrN4
Molecular Weight429.32 g/mol
Exact Mass428.06
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
SMILESBrc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17BrN4/c24-20-13-11-17(12-14-20)16-25-28-22-15-21(18-7-3-1-4-8-18)26-23(27-22)19-9-5-2-6-10-19/h1-16H,(H,26,27,28)/b25-16+
InChIKeyCYWAKAIZJBYRED-PCLIKHOPSA-N
XLogP6.02
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 56.02
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

4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
2-(4-bromophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
CID 5338828
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135907237
N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5332811
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690415
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine
CID 3714888

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine (CID 5338896) is N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine is Brc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
The InChIKey is CYWAKAIZJBYRED-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H17BrN4/c24-20-13-11-17(12-14-20)16-25-28-22-15-21(18-7-3-1-4-8-18)26-23(27-22)19-9-5-2-6-10-19/h1-16H,(H,26,27,28)/b25-16+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine?
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine has a molecular weight of 429.32 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 5338896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).