2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C15H14Br2FN5O2 — CID 3456586

IUPAC2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(C=NNc2ncc(F)c(N3CCOCC3)n2)cc1Br
InChIInChI=1S/C15H14Br2FN5O2/c16-10-5-9(6-11(17)13(10)24)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-8,24H,1-4H2,(H,19,21,22)
InChIKeyBPMJQFRJUKSNRC-UHFFFAOYSA-N
MW475.12 g/mol
LogP3.13
Rot. Bonds4

About 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 3456586) has the molecular formula C15H14Br2FN5O2 and a molecular weight of 475.12 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID3456586
Molecular FormulaC15H14Br2FN5O2
Molecular Weight475.12 g/mol
Exact Mass472.95
IUPAC Name2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(C=NNc2ncc(F)c(N3CCOCC3)n2)cc1Br
InChIInChI=1S/C15H14Br2FN5O2/c16-10-5-9(6-11(17)13(10)24)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-8,24H,1-4H2,(H,19,21,22)
InChIKeyBPMJQFRJUKSNRC-UHFFFAOYSA-N
XLogP3.13
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.12
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 3456586) is 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Br)cc(C=NNc2ncc(F)c(N3CCOCC3)n2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BPMJQFRJUKSNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN5O2/c16-10-5-9(6-11(17)13(10)24)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-8,24H,1-4H2,(H,19,21,22).
What are the key properties of 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 475.12 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3456586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).