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

C16H18FN5O3 — CID 135628176

IUPAC2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1O
InChIInChI=1S/C16H18FN5O3/c1-24-13-4-2-3-11(14(13)23)9-19-21-16-18-10-12(17)15(20-16)22-5-7-25-8-6-22/h2-4,9-10,23H,5-8H2,1H3,(H,18,20,21)/b19-9-
InChIKeyGJBRIYOPTRHHCO-OCKHKDLRSA-N
MW347.35 g/mol
LogP1.61
Rot. Bonds5

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

2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135628176) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135628176
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1O
InChIInChI=1S/C16H18FN5O3/c1-24-13-4-2-3-11(14(13)23)9-19-21-16-18-10-12(17)15(20-16)22-5-7-25-8-6-22/h2-4,9-10,23H,5-8H2,1H3,(H,18,20,21)/b19-9-
InChIKeyGJBRIYOPTRHHCO-OCKHKDLRSA-N
XLogP1.61
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol (CID 135628176) is 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1O.
What is the InChIKey of 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is GJBRIYOPTRHHCO-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-24-13-4-2-3-11(14(13)23)9-19-21-16-18-10-12(17)15(20-16)22-5-7-25-8-6-22/h2-4,9-10,23H,5-8H2,1H3,(H,18,20,21)/b19-9-.
What are the key properties of 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol?
2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 347.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135628176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).