5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C17H21N5O3 — CID 135443119

IUPAC5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)c(O)c1
InChIInChI=1S/C17H21N5O3/c1-2-25-14-4-3-13(15(23)9-14)11-20-21-16-10-17(19-12-18-16)22-5-7-24-8-6-22/h3-4,9-12,23H,2,5-8H2,1H3,(H,18,19,21)/b20-11+
InChIKeyLSTBTZFJDUAIEZ-RGVLZGJSSA-N
MW343.39 g/mol
LogP1.86
Rot. Bonds6

About 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135443119) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135443119
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)c(O)c1
InChIInChI=1S/C17H21N5O3/c1-2-25-14-4-3-13(15(23)9-14)11-20-21-16-10-17(19-12-18-16)22-5-7-24-8-6-22/h3-4,9-12,23H,2,5-8H2,1H3,(H,18,19,21)/b20-11+
InChIKeyLSTBTZFJDUAIEZ-RGVLZGJSSA-N
XLogP1.86
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.86
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

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
4-{4-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9665138
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-(4-Butoxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 9589764
4-{4-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9610620
4-(4-Ethoxy-2-hydroxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 135443126
4-{4-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609048
N-(2,4-Dimethoxy-benzylidene)-N'-(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)-hydrazine
CID 9589776
2-[(6-Methoxy-pyrimidin-4-yl)-hydrazonomethyl]-phenol
CID 135421713

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135443119) is 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is CCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is LSTBTZFJDUAIEZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-25-14-4-3-13(15(23)9-14)11-20-21-16-10-17(19-12-18-16)22-5-7-24-8-6-22/h3-4,9-12,23H,2,5-8H2,1H3,(H,18,19,21)/b20-11+.
What are the key properties of 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 343.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135443119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).