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

C17H18FN5O3 — CID 23646064

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine
SMILESCOCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C17H18FN5O3/c1-10-7-11-13(23-10)3-4-14(15(11)18)26-17-12(16(19)20-9-21-17)8-22-25-6-5-24-2/h3-4,7-9,23H,5-6H2,1-2H3,(H2,19,20,21)/b22-8+
InChIKeyPENVSKZDUMTOCG-GZIVZEMBSA-N
MW359.36 g/mol
LogP2.78
Rot. Bonds7

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

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine (PubChem CID 23646064) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine
PubChem CID23646064
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine
SMILESCOCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C17H18FN5O3/c1-10-7-11-13(23-10)3-4-14(15(11)18)26-17-12(16(19)20-9-21-17)8-22-25-6-5-24-2/h3-4,7-9,23H,5-6H2,1-2H3,(H2,19,20,21)/b22-8+
InChIKeyPENVSKZDUMTOCG-GZIVZEMBSA-N
XLogP2.78
TPSA107.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
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-methoxyethoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine (CID 23646064) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine is COCCO/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-methoxyethoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is PENVSKZDUMTOCG-GZIVZEMBSA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-10-7-11-13(23-10)3-4-14(15(11)18)26-17-12(16(19)20-9-21-17)8-22-25-6-5-24-2/h3-4,7-9,23H,5-6H2,1-2H3,(H2,19,20,21)/b22-8+.
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 359.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 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-methoxyethoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 23646064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).