6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

C14H12FN5O2 — CID 23646051

IUPAC6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]ccc2c1F
InChIInChI=1S/C14H12FN5O2/c1-21-20-6-9-13(16)18-7-19-14(9)22-11-3-2-10-8(12(11)15)4-5-17-10/h2-7,17H,1H3,(H2,16,18,19)/b20-6+
InChIKeyJUEZWCFYAXUXHM-CGOBSMCZSA-N
MW301.28 g/mol
LogP2.45
Rot. Bonds4

About 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (PubChem CID 23646051) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
PubChem CID23646051
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]ccc2c1F
InChIInChI=1S/C14H12FN5O2/c1-21-20-6-9-13(16)18-7-19-14(9)22-11-3-2-10-8(12(11)15)4-5-17-10/h2-7,17H,1H3,(H2,16,18,19)/b20-6+
InChIKeyJUEZWCFYAXUXHM-CGOBSMCZSA-N
XLogP2.45
TPSA98.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (CID 23646051) is 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is CO/N=C/c1c(N)ncnc1Oc1ccc2[nH]ccc2c1F.
What is the InChIKey of 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is JUEZWCFYAXUXHM-CGOBSMCZSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-21-20-6-9-13(16)18-7-19-14(9)22-11-3-2-10-8(12(11)15)4-5-17-10/h2-7,17H,1H3,(H2,16,18,19)/b20-6+.
What are the key properties of 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 301.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 23646051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).