2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

C19H15Br3N4O — CID 3099399

IUPAC2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCC(=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2O)n1)c1ccc(Br)cc1
InChIInChI=1S/C19H15Br3N4O/c1-10-7-17(26-25-11(2)12-3-5-13(20)6-4-12)24-19(23-10)15-8-14(21)9-16(22)18(15)27/h3-9,27H,1-2H3,(H,23,24,26)
InChIKeyOIKVNKZYXZTSAE-UHFFFAOYSA-N
MW555.07 g/mol
LogP6.28
Rot. Bonds4

About 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 3099399) has the molecular formula C19H15Br3N4O and a molecular weight of 555.07 g/mol. Its IUPAC name is 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID3099399
Molecular FormulaC19H15Br3N4O
Molecular Weight555.07 g/mol
Exact Mass551.88
IUPAC Name2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCC(=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2O)n1)c1ccc(Br)cc1
InChIInChI=1S/C19H15Br3N4O/c1-10-7-17(26-25-11(2)12-3-5-13(20)6-4-12)24-19(23-10)15-8-14(21)9-16(22)18(15)27/h3-9,27H,1-2H3,(H,23,24,26)
InChIKeyOIKVNKZYXZTSAE-UHFFFAOYSA-N
XLogP6.28
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.07
LogP ≤ 56.28
H-Bond Donors ≤ 52
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

2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3099378
2,4-dibromo-6-[4-[(2E)-2-[(4-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536505
N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3409848
2,4-dibromo-6-[4-methyl-6-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]pyrimidin-2-yl]phenol
CID 136870503
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
2,4-dibromo-6-[4-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536503
2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 136904721
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3754664
2-(4-bromophenyl)-6-methyl-N-[1-(3-nitrophenyl)ethylideneamino]pyrimidin-4-amine
CID 3106966
4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135465283
2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 3099399) is 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is CC(=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2O)n1)c1ccc(Br)cc1.
What is the InChIKey of 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is OIKVNKZYXZTSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br3N4O/c1-10-7-17(26-25-11(2)12-3-5-13(20)6-4-12)24-19(23-10)15-8-14(21)9-16(22)18(15)27/h3-9,27H,1-2H3,(H,23,24,26).
What are the key properties of 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 555.07 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 3099399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).