4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol

C19H26N3O5P — CID 173237628

IUPAC4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol
SMILESCCOP(=O)(OCC)C(=CNc1cnc(C)cn1)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C19H26N3O5P/c1-6-26-28(24,27-7-2)17(11-22-18-12-20-14(4)10-21-18)15-8-13(3)19(23)16(9-15)25-5/h8-12,23H,6-7H2,1-5H3,(H,21,22)
InChIKeyZJDXTZCMSOFQAC-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.48
Rot. Bonds9

About 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol

4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol (PubChem CID 173237628) has the molecular formula C19H26N3O5P and a molecular weight of 407.41 g/mol. Its IUPAC name is 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol
PubChem CID173237628
Molecular FormulaC19H26N3O5P
Molecular Weight407.41 g/mol
Exact Mass407.16
IUPAC Name4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol
SMILESCCOP(=O)(OCC)C(=CNc1cnc(C)cn1)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C19H26N3O5P/c1-6-26-28(24,27-7-2)17(11-22-18-12-20-14(4)10-21-18)15-8-13(3)19(23)16(9-15)25-5/h8-12,23H,6-7H2,1-5H3,(H,21,22)
InChIKeyZJDXTZCMSOFQAC-UHFFFAOYSA-N
XLogP4.48
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol?
The IUPAC name of 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol (CID 173237628) is 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol?
The canonical SMILES for 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol is CCOP(=O)(OCC)C(=CNc1cnc(C)cn1)c1cc(C)c(O)c(OC)c1.
What is the InChIKey of 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol?
The InChIKey is ZJDXTZCMSOFQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N3O5P/c1-6-26-28(24,27-7-2)17(11-22-18-12-20-14(4)10-21-18)15-8-13(3)19(23)16(9-15)25-5/h8-12,23H,6-7H2,1-5H3,(H,21,22).
What are the key properties of 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol?
4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol has a molecular weight of 407.41 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-diethoxyphosphoryl-2-[(5-methylpyrazin-2-yl)amino]ethenyl]-2-methoxy-6-methylphenol is sourced from PubChem (CID 173237628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).