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

C15H15ClFN5O2 — CID 135509971

IUPAC2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H15ClFN5O2/c16-11-3-1-2-10(13(11)23)8-19-21-15-18-9-12(17)14(20-15)22-4-6-24-7-5-22/h1-3,8-9,23H,4-7H2,(H,18,20,21)/b19-8+
InChIKeyCQLPIUNSCYYXOY-UFWORHAWSA-N
MW351.77 g/mol
LogP2.26
Rot. Bonds4

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

2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135509971) has the molecular formula C15H15ClFN5O2 and a molecular weight of 351.77 g/mol. Its IUPAC name is 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135509971
Molecular FormulaC15H15ClFN5O2
Molecular Weight351.77 g/mol
Exact Mass351.09
IUPAC Name2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H15ClFN5O2/c16-11-3-1-2-10(13(11)23)8-19-21-15-18-9-12(17)14(20-15)22-4-6-24-7-5-22/h1-3,8-9,23H,4-7H2,(H,18,20,21)/b19-8+
InChIKeyCQLPIUNSCYYXOY-UFWORHAWSA-N
XLogP2.26
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135509971) is 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is CQLPIUNSCYYXOY-UFWORHAWSA-N. The full InChI is InChI=1S/C15H15ClFN5O2/c16-11-3-1-2-10(13(11)23)8-19-21-15-18-9-12(17)14(20-15)22-4-6-24-7-5-22/h1-3,8-9,23H,4-7H2,(H,18,20,21)/b19-8+.
What are the key properties of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 351.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135509971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).