6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine

C17H19FN6O2 — CID 23646059

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine
SMILESCNCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C17H19FN6O2/c1-10-7-11-13(24-10)3-4-14(15(11)18)26-17-12(16(19)21-9-22-17)8-23-25-6-5-20-2/h3-4,7-9,20,24H,5-6H2,1-2H3,(H2,19,21,22)/b23-8+
InChIKeyFGKMGSXGLYSCIG-LIMNOBDPSA-N
MW358.38 g/mol
LogP2.35
Rot. Bonds7

About 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine (PubChem CID 23646059) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine
PubChem CID23646059
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine
SMILESCNCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C17H19FN6O2/c1-10-7-11-13(24-10)3-4-14(15(11)18)26-17-12(16(19)21-9-22-17)8-23-25-6-5-20-2/h3-4,7-9,20,24H,5-6H2,1-2H3,(H2,19,21,22)/b23-8+
InChIKeyFGKMGSXGLYSCIG-LIMNOBDPSA-N
XLogP2.35
TPSA110.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine (CID 23646059) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine is CNCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is FGKMGSXGLYSCIG-LIMNOBDPSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-10-7-11-13(24-10)3-4-14(15(11)18)26-17-12(16(19)21-9-22-17)8-23-25-6-5-20-2/h3-4,7-9,20,24H,5-6H2,1-2H3,(H2,19,21,22)/b23-8+.
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 358.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-(methylamino)ethoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 23646059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).