6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine

C18H20FN5O3 — CID 23646065

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine
SMILESCOCCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C18H20FN5O3/c1-11-8-12-14(24-11)4-5-15(16(12)19)27-18-13(17(20)21-10-22-18)9-23-26-7-3-6-25-2/h4-5,8-10,24H,3,6-7H2,1-2H3,(H2,20,21,22)/b23-9+
InChIKeyYSMSWYULVKNYGX-NUGSKGIGSA-N
MW373.39 g/mol
LogP3.17
Rot. Bonds8

About 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine (PubChem CID 23646065) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine
PubChem CID23646065
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine
SMILESCOCCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C18H20FN5O3/c1-11-8-12-14(24-11)4-5-15(16(12)19)27-18-13(17(20)21-10-22-18)9-23-26-7-3-6-25-2/h4-5,8-10,24H,3,6-7H2,1-2H3,(H2,20,21,22)/b23-9+
InChIKeyYSMSWYULVKNYGX-NUGSKGIGSA-N
XLogP3.17
TPSA107.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.17
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)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine (CID 23646065) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine is COCCCO/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)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is YSMSWYULVKNYGX-NUGSKGIGSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-11-8-12-14(24-11)4-5-15(16(12)19)27-18-13(17(20)21-10-22-18)9-23-26-7-3-6-25-2/h4-5,8-10,24H,3,6-7H2,1-2H3,(H2,20,21,22)/b23-9+.
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(E)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 373.39 g/mol, XLogP of 3.17, 8 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)-3-methoxypropoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 23646065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).