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

C19H25FN6O2 — CID 135628637

IUPAC5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1
InChIInChI=1S/C19H25FN6O2/c1-3-25(4-2)15-6-5-14(17(27)11-15)12-22-24-19-21-13-16(20)18(23-19)26-7-9-28-10-8-26/h5-6,11-13,27H,3-4,7-10H2,1-2H3,(H,21,23,24)/b22-12-
InChIKeyFWQWYRYQURXPDL-UUYOSTAYSA-N
MW388.45 g/mol
LogP2.45
Rot. Bonds7

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

5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135628637) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135628637
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1
InChIInChI=1S/C19H25FN6O2/c1-3-25(4-2)15-6-5-14(17(27)11-15)12-22-24-19-21-13-16(20)18(23-19)26-7-9-28-10-8-26/h5-6,11-13,27H,3-4,7-10H2,1-2H3,(H,21,23,24)/b22-12-
InChIKeyFWQWYRYQURXPDL-UUYOSTAYSA-N
XLogP2.45
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.45
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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Related Compounds

2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
5-[[5-Methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 155518316
5-[[2-(3-Fluoro-4-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol;hydrochloride
CID 44532552
2-(2-Aminopyrimidin-4-yl)-4-morpholin-4-ylphenol
CID 136086914
(E)-2-((2-(5-fluoro-4-morpholinopyrimidin-2-yl)hydrazono)methyl)phenol
CID 135487489
2-[(E)-[[4-(4-fluoroanilino)-6-(2-hydroxyethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 136484815
4-[[5-Fluoro-2-[3-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]-2,6-dimethylphenol
CID 10310548
2-[3-[[5-fluoro-4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 11531374
2-[5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-2-methylphenoxy]-N-methylacetamide
CID 11596413
2-[5-[[5-fluoro-4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]cyclohexa-1,5-dien-1-yl]oxy-N-methylacetamide
CID 131704402
N4-(3,5-Dimethyl-4-hydroxyphenyl)-5-fluoro-N2-[3-[2-(N-morpholino)ethyleneoxy]phenyl]-2,4-pyrimidinediamine
CID 155926734
5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135401302

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135628637) is 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is CCN(CC)c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is FWQWYRYQURXPDL-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c1-3-25(4-2)15-6-5-14(17(27)11-15)12-22-24-19-21-13-16(20)18(23-19)26-7-9-28-10-8-26/h5-6,11-13,27H,3-4,7-10H2,1-2H3,(H,21,23,24)/b22-12-.
What are the key properties of 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 388.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135628637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).