5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol

C17H21N5O3 — CID 135801708

IUPAC5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
SMILESCCOc1ccc(/C(=N\N)c2cc(N3CCOCC3)ncn2)c(O)c1
InChIInChI=1S/C17H21N5O3/c1-2-25-12-3-4-13(15(23)9-12)17(21-18)14-10-16(20-11-19-14)22-5-7-24-8-6-22/h3-4,9-11,23H,2,5-8,18H2,1H3/b21-17+
InChIKeyLYAZJQIOVPRBDG-HEHNFIMWSA-N
MW343.39 g/mol
LogP1.13
Rot. Bonds5

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

5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol (PubChem CID 135801708) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
PubChem CID135801708
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
SMILESCCOc1ccc(/C(=N\N)c2cc(N3CCOCC3)ncn2)c(O)c1
InChIInChI=1S/C17H21N5O3/c1-2-25-12-3-4-13(15(23)9-12)17(21-18)14-10-16(20-11-19-14)22-5-7-24-8-6-22/h3-4,9-11,23H,2,5-8,18H2,1H3/b21-17+
InChIKeyLYAZJQIOVPRBDG-HEHNFIMWSA-N
XLogP1.13
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
CID 140590651
N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 154843375
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749
N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365450
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-[N-ethyl-C-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]carbonimidoyl]-4-(2-methoxyethoxy)aniline
CID 123983506
4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
CID 88663945
2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
CID 87089450
5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 135812287
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
The IUPAC name of 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol (CID 135801708) is 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
The canonical SMILES for 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol is CCOc1ccc(/C(=N\N)c2cc(N3CCOCC3)ncn2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
The InChIKey is LYAZJQIOVPRBDG-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-25-12-3-4-13(15(23)9-12)17(21-18)14-10-16(20-11-19-14)22-5-7-24-8-6-22/h3-4,9-11,23H,2,5-8,18H2,1H3/b21-17+.
What are the key properties of 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol has a molecular weight of 343.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol is sourced from PubChem (CID 135801708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).