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

C17H20FN5O3 — CID 135628988

IUPAC2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1O
InChIInChI=1S/C17H20FN5O3/c1-2-26-15-9-12(3-4-14(15)24)10-20-22-17-19-11-13(18)16(21-17)23-5-7-25-8-6-23/h3-4,9-11,24H,2,5-8H2,1H3,(H,19,21,22)/b20-10-
InChIKeyFSGVDYLQPSMDOK-JMIUGGIZSA-N
MW361.38 g/mol
LogP2.00
Rot. Bonds6

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

2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135628988) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135628988
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1O
InChIInChI=1S/C17H20FN5O3/c1-2-26-15-9-12(3-4-14(15)24)10-20-22-17-19-11-13(18)16(21-17)23-5-7-25-8-6-23/h3-4,9-11,24H,2,5-8H2,1H3,(H,19,21,22)/b20-10-
InChIKeyFSGVDYLQPSMDOK-JMIUGGIZSA-N
XLogP2.00
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol
CID 3078765
2,4-NH2Pyrimidine,5(3-OH-4meo)benzyl
CID 15571587
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
5-[[4-[(3,4-Difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 44532667
4-[(5-Amino-6-chloro-pyrimidin-4-yl)-hydrazonomethyl]-2-ethoxy-phenol
CID 135497937
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136180786
(Z)-4-(2-(2-(3,4-dimethoxybenzylidene)hydrazinyl)-5-fluoropyrimidin-4-yl)morpholine
CID 5910907
4-[(E)-{2-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,2-diol
CID 135466644
(Z)-4-(2-(2-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)hydrazinyl)-5-fluoropyrimidin-4-yl)morpholine
CID 6067242
(E)-2-((2-(5-fluoro-4-morpholinopyrimidin-2-yl)hydrazono)methyl)phenol
CID 135487489
2-[(Z)-{2-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]hydrazinylidene}methyl]-6-methoxyphenol
CID 135628176
2-[(Z)-{2-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]hydrazinylidene}methyl]phenol
CID 135628177

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135628988) is 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is FSGVDYLQPSMDOK-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-2-26-15-9-12(3-4-14(15)24)10-20-22-17-19-11-13(18)16(21-17)23-5-7-25-8-6-23/h3-4,9-11,24H,2,5-8H2,1H3,(H,19,21,22)/b20-10-.
What are the key properties of 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 361.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135628988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).