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

C15H15ClFN5O2 — CID 135628634

IUPAC4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H15ClFN5O2/c16-11-1-2-13(23)10(7-11)8-19-21-15-18-9-12(17)14(20-15)22-3-5-24-6-4-22/h1-2,7-9,23H,3-6H2,(H,18,20,21)/b19-8-
InChIKeyBDPVFXJMTJEMRR-UWVJOHFNSA-N
MW351.77 g/mol
LogP2.26
Rot. Bonds4

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

4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135628634) has the molecular formula C15H15ClFN5O2 and a molecular weight of 351.77 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135628634
Molecular FormulaC15H15ClFN5O2
Molecular Weight351.77 g/mol
Exact Mass351.09
IUPAC Name4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H15ClFN5O2/c16-11-1-2-13(23)10(7-11)8-19-21-15-18-9-12(17)14(20-15)22-3-5-24-6-4-22/h1-2,7-9,23H,3-6H2,(H,18,20,21)/b19-8-
InChIKeyBDPVFXJMTJEMRR-UWVJOHFNSA-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 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135628634) is 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1ccc(Cl)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BDPVFXJMTJEMRR-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H15ClFN5O2/c16-11-1-2-13(23)10(7-11)8-19-21-15-18-9-12(17)14(20-15)22-3-5-24-6-4-22/h1-2,7-9,23H,3-6H2,(H,18,20,21)/b19-8-.
What are the key properties of 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-chloro-2-[(Z)-[(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 4-chloro-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135628634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).