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

C15H15N5O2 — CID 23646049

IUPAC5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C15H15N5O2/c1-9-5-10-6-11(3-4-13(10)20-9)22-15-12(7-19-21-2)14(16)17-8-18-15/h3-8,20H,1-2H3,(H2,16,17,18)/b19-7+
InChIKeyMIUKVPKHKILETL-FBCYGCLPSA-N
MW297.32 g/mol
LogP2.62
Rot. Bonds4

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

5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (PubChem CID 23646049) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
PubChem CID23646049
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C15H15N5O2/c1-9-5-10-6-11(3-4-13(10)20-9)22-15-12(7-19-21-2)14(16)17-8-18-15/h3-8,20H,1-2H3,(H2,16,17,18)/b19-7+
InChIKeyMIUKVPKHKILETL-FBCYGCLPSA-N
XLogP2.62
TPSA98.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.62
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 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The IUPAC name of 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (CID 23646049) is 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is CO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The InChIKey is MIUKVPKHKILETL-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-5-10-6-11(3-4-13(10)20-9)22-15-12(7-19-21-2)14(16)17-8-18-15/h3-8,20H,1-2H3,(H2,16,17,18)/b19-7+.
What are the key properties of 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 297.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-methoxyiminomethyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 23646049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).