N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine

C19H16ClN3O3 — CID 45034743

IUPACN-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
SMILESCOc1cc(OC)nc(Oc2ccccc2/C=N/c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN3O3/c1-24-17-11-18(25-2)23-19(22-17)26-16-9-4-3-6-13(16)12-21-15-8-5-7-14(20)10-15/h3-12H,1-2H3/b21-12+
InChIKeyISMTZAZTIOATEC-CIAFOILYSA-N
MW369.81 g/mol
LogP4.69
Rot. Bonds6

About N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine

N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine (PubChem CID 45034743) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
PubChem CID45034743
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC NameN-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
SMILESCOc1cc(OC)nc(Oc2ccccc2/C=N/c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN3O3/c1-24-17-11-18(25-2)23-19(22-17)26-16-9-4-3-6-13(16)12-21-15-8-5-7-14(20)10-15/h3-12H,1-2H3/b21-12+
InChIKeyISMTZAZTIOATEC-CIAFOILYSA-N
XLogP4.69
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.69
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-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine (CID 45034743) is N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine is COc1cc(OC)nc(Oc2ccccc2/C=N/c2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The InChIKey is ISMTZAZTIOATEC-CIAFOILYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-24-17-11-18(25-2)23-19(22-17)26-16-9-4-3-6-13(16)12-21-15-8-5-7-14(20)10-15/h3-12H,1-2H3/b21-12+.
What are the key properties of N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine has a molecular weight of 369.81 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine is sourced from PubChem (CID 45034743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).