4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C15H16FN5O3 — CID 135529619

IUPAC4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1
InChIInChI=1S/C15H16FN5O3/c16-12-9-17-15(19-14(12)21-3-5-24-6-4-21)20-18-8-10-1-2-11(22)7-13(10)23/h1-2,7-9,22-23H,3-6H2,(H,17,19,20)/b18-8+
InChIKeyWSZYFBIXHMXLIY-QGMBQPNBSA-N
MW333.32 g/mol
LogP1.31
Rot. Bonds4

About 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135529619) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135529619
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1
InChIInChI=1S/C15H16FN5O3/c16-12-9-17-15(19-14(12)21-3-5-24-6-4-21)20-18-8-10-1-2-11(22)7-13(10)23/h1-2,7-9,22-23H,3-6H2,(H,17,19,20)/b18-8+
InChIKeyWSZYFBIXHMXLIY-QGMBQPNBSA-N
XLogP1.31
TPSA103.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-(4-Ethoxy-2-hydroxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 135443126
4-[(E)-[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135421695
2-[(6-Morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-5-propoxy-phenol
CID 135443118
5-Ethoxy-2-[(6-morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-phenol
CID 135443119
4-{1-[(6-Morpholin-4-yl-pyrimidin-4-yl)-hydrazono]-ethyl}-phenol
CID 135443115
(E)-2-((2-(5-fluoro-4-morpholinopyrimidin-2-yl)hydrazono)methyl)phenol
CID 135487489
4-[(Z)-[(2,6-dimorpholinopyrimidin-4-yl)hydrazono]methyl]benzene-1,3-diol
CID 135497971
4-[(E)-{2-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135501770
2-[(E)-[(4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136094093
2-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137225102

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135529619) is 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c(O)c1.
What is the InChIKey of 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is WSZYFBIXHMXLIY-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H16FN5O3/c16-12-9-17-15(19-14(12)21-3-5-24-6-4-21)20-18-8-10-1-2-11(22)7-13(10)23/h1-2,7-9,22-23H,3-6H2,(H,17,19,20)/b18-8+.
What are the key properties of 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 333.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135529619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).