4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol

C18H15BrN4O — CID 170922516

IUPAC4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol
SMILESCc1cc(-c2ccccc2)nc(/N=N/Cc2cc(Br)ccc2O)n1
InChIInChI=1S/C18H15BrN4O/c1-12-9-16(13-5-3-2-4-6-13)22-18(21-12)23-20-11-14-10-15(19)7-8-17(14)24/h2-10,24H,11H2,1H3/b23-20+
InChIKeyOAWLNUCLTXBTLL-BSYVCWPDSA-N
MW383.25 g/mol
LogP5.20
Rot. Bonds4

About 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol

4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol (PubChem CID 170922516) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol
PubChem CID170922516
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol
SMILESCc1cc(-c2ccccc2)nc(/N=N/Cc2cc(Br)ccc2O)n1
InChIInChI=1S/C18H15BrN4O/c1-12-9-16(13-5-3-2-4-6-13)22-18(21-12)23-20-11-14-10-15(19)7-8-17(14)24/h2-10,24H,11H2,1H3/b23-20+
InChIKeyOAWLNUCLTXBTLL-BSYVCWPDSA-N
XLogP5.20
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol (CID 170922516) is 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol is Cc1cc(-c2ccccc2)nc(/N=N/Cc2cc(Br)ccc2O)n1.
What is the InChIKey of 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol?
The InChIKey is OAWLNUCLTXBTLL-BSYVCWPDSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-9-16(13-5-3-2-4-6-13)22-18(21-12)23-20-11-14-10-15(19)7-8-17(14)24/h2-10,24H,11H2,1H3/b23-20+.
What are the key properties of 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol?
4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol has a molecular weight of 383.25 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(4-methyl-6-phenylpyrimidin-2-yl)diazenyl]methyl]phenol is sourced from PubChem (CID 170922516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).