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

C15H14Cl2FN5O2 — CID 91363237

IUPAC2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1C/N=N/c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H14Cl2FN5O2/c16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-6,8,24H,1-4,7H2/b22-20+
InChIKeyGGTANAPRAJFXOY-LSDHQDQOSA-N
MW386.21 g/mol
LogP3.75
Rot. Bonds4

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

2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol (PubChem CID 91363237) has the molecular formula C15H14Cl2FN5O2 and a molecular weight of 386.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol
PubChem CID91363237
Molecular FormulaC15H14Cl2FN5O2
Molecular Weight386.21 g/mol
Exact Mass385.05
IUPAC Name2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1C/N=N/c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H14Cl2FN5O2/c16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-6,8,24H,1-4,7H2/b22-20+
InChIKeyGGTANAPRAJFXOY-LSDHQDQOSA-N
XLogP3.75
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol (CID 91363237) is 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol is Oc1c(Cl)cc(Cl)cc1C/N=N/c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol?
The InChIKey is GGTANAPRAJFXOY-LSDHQDQOSA-N. The full InChI is InChI=1S/C15H14Cl2FN5O2/c16-10-5-9(13(24)11(17)6-10)7-20-22-15-19-8-12(18)14(21-15)23-1-3-25-4-2-23/h5-6,8,24H,1-4,7H2/b22-20+.
What are the key properties of 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol?
2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol has a molecular weight of 386.21 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]phenol is sourced from PubChem (CID 91363237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).