N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine

C17H21N3O3 — CID 3517139

IUPACN-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
SMILESCOc1cc(OC)nc(Oc2ccccc2/C=N/C(C)(C)C)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)18-11-12-8-6-7-9-13(12)23-16-19-14(21-4)10-15(20-16)22-5/h6-11H,1-5H3/b18-11+
InChIKeyFNESCVXLWSZICG-WOJGMQOQSA-N
MW315.37 g/mol
LogP3.50
Rot. Bonds5

About N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine

N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine (PubChem CID 3517139) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
PubChem CID3517139
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
SMILESCOc1cc(OC)nc(Oc2ccccc2/C=N/C(C)(C)C)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)18-11-12-8-6-7-9-13(12)23-16-19-14(21-4)10-15(20-16)22-5/h6-11H,1-5H3/b18-11+
InChIKeyFNESCVXLWSZICG-WOJGMQOQSA-N
XLogP3.50
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The IUPAC name of N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine (CID 3517139) is N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine is COc1cc(OC)nc(Oc2ccccc2/C=N/C(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The InChIKey is FNESCVXLWSZICG-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,3)18-11-12-8-6-7-9-13(12)23-16-19-14(21-4)10-15(20-16)22-5/h6-11H,1-5H3/b18-11+.
What are the key properties of N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine has a molecular weight of 315.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine is sourced from PubChem (CID 3517139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).