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

C15H14Cl2FN5O2 — CID 135628636

IUPAC2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N\Nc1ncc(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/h5-8,24H,1-4H2,(H,19,21,22)/b20-7-
InChIKeyGMLGUPDHGWEOAU-SCDVKCJHSA-N
MW386.21 g/mol
LogP2.91
Rot. Bonds4

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

2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135628636) has the molecular formula C15H14Cl2FN5O2 and a molecular weight of 386.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135628636
Molecular FormulaC15H14Cl2FN5O2
Molecular Weight386.21 g/mol
Exact Mass385.05
IUPAC Name2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N\Nc1ncc(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/h5-8,24H,1-4H2,(H,19,21,22)/b20-7-
InChIKeyGMLGUPDHGWEOAU-SCDVKCJHSA-N
XLogP2.91
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 52.91
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 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135628636) is 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is GMLGUPDHGWEOAU-SCDVKCJHSA-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/h5-8,24H,1-4H2,(H,19,21,22)/b20-7-.
What are the key properties of 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 386.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135628636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).