2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

C19H16Br2N4O2 — CID 3099378

IUPAC2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCOc1ccccc1C=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C19H16Br2N4O2/c1-11-7-17(25-22-10-12-5-3-4-6-16(12)27-2)24-19(23-11)14-8-13(20)9-15(21)18(14)26/h3-10,26H,1-2H3,(H,23,24,25)
InChIKeyAISZGWKSMPGMBO-UHFFFAOYSA-N
MW492.17 g/mol
LogP5.14
Rot. Bonds5

About 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 3099378) has the molecular formula C19H16Br2N4O2 and a molecular weight of 492.17 g/mol. Its IUPAC name is 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID3099378
Molecular FormulaC19H16Br2N4O2
Molecular Weight492.17 g/mol
Exact Mass489.96
IUPAC Name2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCOc1ccccc1C=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C19H16Br2N4O2/c1-11-7-17(25-22-10-12-5-3-4-6-16(12)27-2)24-19(23-11)14-8-13(20)9-15(21)18(14)26/h3-10,26H,1-2H3,(H,23,24,25)
InChIKeyAISZGWKSMPGMBO-UHFFFAOYSA-N
XLogP5.14
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.17
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-dibromo-6-[4-[(2E)-2-[(4-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536505
2,4-dibromo-6-[4-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536503
2,4-dibromo-6-[4-methyl-6-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]pyrimidin-2-yl]phenol
CID 136870503
2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3099399
2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541
4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
CID 135854092
N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6279740
4-bromo-2-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4244298
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690415
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dibromophenol
CID 135419784
2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472546

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 3099378) is 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is COc1ccccc1C=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2O)n1.
What is the InChIKey of 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is AISZGWKSMPGMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N4O2/c1-11-7-17(25-22-10-12-5-3-4-6-16(12)27-2)24-19(23-11)14-8-13(20)9-15(21)18(14)26/h3-10,26H,1-2H3,(H,23,24,25).
What are the key properties of 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 492.17 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 3099378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).