4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol

C25H23BrN4O2 — CID 154606219

IUPAC4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol
SMILESCOc1cc(CNN(C)c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)ccc1O
InChIInChI=1S/C25H23BrN4O2/c1-30(27-16-17-8-13-23(31)24(14-17)32-2)25-28-21(18-6-4-3-5-7-18)15-22(29-25)19-9-11-20(26)12-10-19/h3-15,27,31H,16H2,1-2H3
InChIKeyGHEIIFJAHAGFIU-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.43
Rot. Bonds7

About 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol

4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol (PubChem CID 154606219) has the molecular formula C25H23BrN4O2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol
PubChem CID154606219
Molecular FormulaC25H23BrN4O2
Molecular Weight491.39 g/mol
Exact Mass490.10
IUPAC Name4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol
SMILESCOc1cc(CNN(C)c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)ccc1O
InChIInChI=1S/C25H23BrN4O2/c1-30(27-16-17-8-13-23(31)24(14-17)32-2)25-28-21(18-6-4-3-5-7-18)15-22(29-25)19-9-11-20(26)12-10-19/h3-15,27,31H,16H2,1-2H3
InChIKeyGHEIIFJAHAGFIU-UHFFFAOYSA-N
XLogP5.43
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43740703
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
4-[(2-iodoanilino)methyl]-2-methoxyphenol
CID 28978282
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
CID 135421596
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol (CID 154606219) is 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol is COc1cc(CNN(C)c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)ccc1O.
What is the InChIKey of 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol?
The InChIKey is GHEIIFJAHAGFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O2/c1-30(27-16-17-8-13-23(31)24(14-17)32-2)25-28-21(18-6-4-3-5-7-18)15-22(29-25)19-9-11-20(26)12-10-19/h3-15,27,31H,16H2,1-2H3.
What are the key properties of 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol?
4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol has a molecular weight of 491.39 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol is sourced from PubChem (CID 154606219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).