4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol

C12H12N4O3 — CID 44511478

IUPAC4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc(O)cc1
InChIInChI=1S/C12H12N4O3/c1-18-16-6-10-11(13)14-7-15-12(10)19-9-4-2-8(17)3-5-9/h2-7,17H,1H3,(H2,13,14,15)/b16-6+
InChIKeyMSKXHWJAZYBXPA-OMCISZLKSA-N
MW260.25 g/mol
LogP1.54
Rot. Bonds4

About 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol

4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol (PubChem CID 44511478) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol.

Molecular Properties

Compound Name4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol
PubChem CID44511478
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc(O)cc1
InChIInChI=1S/C12H12N4O3/c1-18-16-6-10-11(13)14-7-15-12(10)19-9-4-2-8(17)3-5-9/h2-7,17H,1H3,(H2,13,14,15)/b16-6+
InChIKeyMSKXHWJAZYBXPA-OMCISZLKSA-N
XLogP1.54
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol?
The IUPAC name of 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol (CID 44511478) is 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol.
What is the SMILES notation for 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol?
The canonical SMILES for 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol is CO/N=C/c1c(N)ncnc1Oc1ccc(O)cc1.
What is the InChIKey of 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol?
The InChIKey is MSKXHWJAZYBXPA-OMCISZLKSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-18-16-6-10-11(13)14-7-15-12(10)19-9-4-2-8(17)3-5-9/h2-7,17H,1H3,(H2,13,14,15)/b16-6+.
What are the key properties of 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol?
4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol has a molecular weight of 260.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenol is sourced from PubChem (CID 44511478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).