5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine

C15H15N5O2 — CID 23646048

IUPAC5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2c(ccn2C)c1
InChIInChI=1S/C15H15N5O2/c1-20-6-5-10-7-11(3-4-13(10)20)22-15-12(8-19-21-2)14(16)17-9-18-15/h3-9H,1-2H3,(H2,16,17,18)/b19-8+
InChIKeyHVNMIYOKZLTHNY-UFWORHAWSA-N
MW297.32 g/mol
LogP2.32
Rot. Bonds4

About 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine

5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine (PubChem CID 23646048) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine
PubChem CID23646048
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc2c(ccn2C)c1
InChIInChI=1S/C15H15N5O2/c1-20-6-5-10-7-11(3-4-13(10)20)22-15-12(8-19-21-2)14(16)17-9-18-15/h3-9H,1-2H3,(H2,16,17,18)/b19-8+
InChIKeyHVNMIYOKZLTHNY-UFWORHAWSA-N
XLogP2.32
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

Surufatinib
CID 52920501
Acrizanib
CID 59394698
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-7-yloxy)pyrimidin-4-amine
CID 23646046
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646051
6-[(6-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646052
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine?
The IUPAC name of 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine (CID 23646048) is 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine.
What is the SMILES notation for 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine?
The canonical SMILES for 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine is CO/N=C/c1c(N)ncnc1Oc1ccc2c(ccn2C)c1.
What is the InChIKey of 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine?
The InChIKey is HVNMIYOKZLTHNY-UFWORHAWSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-6-5-10-7-11(3-4-13(10)20)22-15-12(8-19-21-2)14(16)17-9-18-15/h3-9H,1-2H3,(H2,16,17,18)/b19-8+.
What are the key properties of 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine?
5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine has a molecular weight of 297.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-methoxyiminomethyl]-6-(1-methylindol-5-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 23646048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).