6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

C14H13N5O2 — CID 23646047

IUPAC6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H13N5O2/c1-20-19-7-11-13(15)17-8-18-14(11)21-10-2-3-12-9(6-10)4-5-16-12/h2-8,16H,1H3,(H2,15,17,18)/b19-7+
InChIKeyRBOIGEMDWWVEJC-FBCYGCLPSA-N
MW283.29 g/mol
LogP2.31
Rot. Bonds4

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

6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (PubChem CID 23646047) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
PubChem CID23646047
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H13N5O2/c1-20-19-7-11-13(15)17-8-18-14(11)21-10-2-3-12-9(6-10)4-5-16-12/h2-8,16H,1H3,(H2,15,17,18)/b19-7+
InChIKeyRBOIGEMDWWVEJC-FBCYGCLPSA-N
XLogP2.31
TPSA98.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.31
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-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (CID 23646047) is 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is CO/N=C/c1c(N)ncnc1Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is RBOIGEMDWWVEJC-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-20-19-7-11-13(15)17-8-18-14(11)21-10-2-3-12-9(6-10)4-5-16-12/h2-8,16H,1H3,(H2,15,17,18)/b19-7+.
What are the key properties of 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 283.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yloxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 23646047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).