4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine

C24H19BrN4O — CID 3092304

IUPAC4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C24H19BrN4O/c1-30-21-13-7-17(8-14-21)16-26-29-24-27-22(18-5-3-2-4-6-18)15-23(28-24)19-9-11-20(25)12-10-19/h2-16H,1H3,(H,27,28,29)
InChIKeyUDPSOBKBYKVGLL-UHFFFAOYSA-N
MW459.35 g/mol
LogP6.03
Rot. Bonds6

About 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine

4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine (PubChem CID 3092304) has the molecular formula C24H19BrN4O and a molecular weight of 459.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
PubChem CID3092304
Molecular FormulaC24H19BrN4O
Molecular Weight459.35 g/mol
Exact Mass458.07
IUPAC Name4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C24H19BrN4O/c1-30-21-13-7-17(8-14-21)16-26-29-24-27-22(18-5-3-2-4-6-18)15-23(28-24)19-9-11-20(25)12-10-19/h2-16H,1H3,(H,27,28,29)
InChIKeyUDPSOBKBYKVGLL-UHFFFAOYSA-N
XLogP6.03
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 26366885
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid
CID 3092307
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine
CID 3714888
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine (CID 3092304) is 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine is COc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine?
The InChIKey is UDPSOBKBYKVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O/c1-30-21-13-7-17(8-14-21)16-26-29-24-27-22(18-5-3-2-4-6-18)15-23(28-24)19-9-11-20(25)12-10-19/h2-16H,1H3,(H,27,28,29).
What are the key properties of 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine?
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine has a molecular weight of 459.35 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 3092304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).