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

C18H20FN5O2 — CID 23646054

IUPAC5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCCCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C18H20FN5O2/c1-3-4-7-25-23-9-13-17(20)21-10-22-18(13)26-15-6-5-14-12(16(15)19)8-11(2)24-14/h5-6,8-10,24H,3-4,7H2,1-2H3,(H2,20,21,22)/b23-9+
InChIKeyYCUWWVCIAJSIKD-NUGSKGIGSA-N
MW357.39 g/mol
LogP3.93
Rot. Bonds7

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

5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (PubChem CID 23646054) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
PubChem CID23646054
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCCCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C18H20FN5O2/c1-3-4-7-25-23-9-13-17(20)21-10-22-18(13)26-15-6-5-14-12(16(15)19)8-11(2)24-14/h5-6,8-10,24H,3-4,7H2,1-2H3,(H2,20,21,22)/b23-9+
InChIKeyYCUWWVCIAJSIKD-NUGSKGIGSA-N
XLogP3.93
TPSA98.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The IUPAC name of 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (CID 23646054) is 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is CCCCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The InChIKey is YCUWWVCIAJSIKD-NUGSKGIGSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-3-4-7-25-23-9-13-17(20)21-10-22-18(13)26-15-6-5-14-12(16(15)19)8-11(2)24-14/h5-6,8-10,24H,3-4,7H2,1-2H3,(H2,20,21,22)/b23-9+.
What are the key properties of 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 357.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-butoxyiminomethyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 23646054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).