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

C18H23N5O3 — CID 135443118

IUPAC2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)c(O)c1
InChIInChI=1S/C18H23N5O3/c1-2-7-26-15-4-3-14(16(24)10-15)12-21-22-17-11-18(20-13-19-17)23-5-8-25-9-6-23/h3-4,10-13,24H,2,5-9H2,1H3,(H,19,20,22)/b21-12+
InChIKeyHMGMKGBHYZAOTA-CIAFOILYSA-N
MW357.41 g/mol
LogP2.25
Rot. Bonds7

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

2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol (PubChem CID 135443118) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
PubChem CID135443118
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)c(O)c1
InChIInChI=1S/C18H23N5O3/c1-2-7-26-15-4-3-14(16(24)10-15)12-21-22-17-11-18(20-13-19-17)23-5-8-25-9-6-23/h3-4,10-13,24H,2,5-9H2,1H3,(H,19,20,22)/b21-12+
InChIKeyHMGMKGBHYZAOTA-CIAFOILYSA-N
XLogP2.25
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.25
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-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The IUPAC name of 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol (CID 135443118) is 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol is CCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)c(O)c1.
What is the InChIKey of 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The InChIKey is HMGMKGBHYZAOTA-CIAFOILYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-7-26-15-4-3-14(16(24)10-15)12-21-22-17-11-18(20-13-19-17)23-5-8-25-9-6-23/h3-4,10-13,24H,2,5-9H2,1H3,(H,19,20,22)/b21-12+.
What are the key properties of 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol has a molecular weight of 357.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol is sourced from PubChem (CID 135443118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).