4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol

C16H16BrClFN5O2 — CID 91437037

IUPAC4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol
SMILESCC(/N=N/c1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C16H16BrClFN5O2/c1-9(11-6-10(17)7-12(18)14(11)25)22-23-16-20-8-13(19)15(21-16)24-2-4-26-5-3-24/h6-9,25H,2-5H2,1H3/b23-22+
InChIKeyRLUPINUZUCSHFJ-GHVJWSGMSA-N
MW444.69 g/mol
LogP4.42
Rot. Bonds4

About 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol

4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol (PubChem CID 91437037) has the molecular formula C16H16BrClFN5O2 and a molecular weight of 444.69 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol
PubChem CID91437037
Molecular FormulaC16H16BrClFN5O2
Molecular Weight444.69 g/mol
Exact Mass443.02
IUPAC Name4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol
SMILESCC(/N=N/c1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C16H16BrClFN5O2/c1-9(11-6-10(17)7-12(18)14(11)25)22-23-16-20-8-13(19)15(21-16)24-2-4-26-5-3-24/h6-9,25H,2-5H2,1H3/b23-22+
InChIKeyRLUPINUZUCSHFJ-GHVJWSGMSA-N
XLogP4.42
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.69
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

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4-Bromo-2-chloro-6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]phenol
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5-bromo-3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxybenzohydrazide
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CID 89243199
2-Chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-4-[3-(trifluoromethyl)phenyl]phenol
CID 90759929
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CID 90991968
4-Bromo-2-chloro-6-[[(5-fluoro-4-piperidin-1-ylpyrimidin-2-yl)diazenyl]methyl]phenol
CID 91030843
4-Bromo-2-chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-[3-(trifluoromethyl)phenyl]phenol
CID 91114736
4-Bromo-2-chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol
CID 91227783
2,4-Dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol (CID 91437037) is 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol is CC(/N=N/c1ncc(F)c(N2CCOCC2)n1)c1cc(Br)cc(Cl)c1O.
What is the InChIKey of 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol?
The InChIKey is RLUPINUZUCSHFJ-GHVJWSGMSA-N. The full InChI is InChI=1S/C16H16BrClFN5O2/c1-9(11-6-10(17)7-12(18)14(11)25)22-23-16-20-8-13(19)15(21-16)24-2-4-26-5-3-24/h6-9,25H,2-5H2,1H3/b23-22+.
What are the key properties of 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol?
4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol has a molecular weight of 444.69 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-[1-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]ethyl]phenol is sourced from PubChem (CID 91437037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).