(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine

C20H17Cl2N3O4 — CID 88512625

IUPAC(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
SMILESCOc1cc(OC)nc(Oc2ccccc2/C=N\OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H17Cl2N3O4/c1-26-18-10-19(27-2)25-20(24-18)29-17-6-4-3-5-13(17)11-23-28-12-14-7-8-15(21)9-16(14)22/h3-11H,12H2,1-2H3/b23-11-
InChIKeyMUVHYJNOCCDNCD-KSEXSDGBSA-N
MW434.28 g/mol
LogP5.14
Rot. Bonds8

About (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine

(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine (PubChem CID 88512625) has the molecular formula C20H17Cl2N3O4 and a molecular weight of 434.28 g/mol. Its IUPAC name is (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine.

Molecular Properties

Compound Name(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
PubChem CID88512625
Molecular FormulaC20H17Cl2N3O4
Molecular Weight434.28 g/mol
Exact Mass433.06
IUPAC Name(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
SMILESCOc1cc(OC)nc(Oc2ccccc2/C=N\OCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H17Cl2N3O4/c1-26-18-10-19(27-2)25-20(24-18)29-17-6-4-3-5-13(17)11-23-28-12-14-7-8-15(21)9-16(14)22/h3-11H,12H2,1-2H3/b23-11-
InChIKeyMUVHYJNOCCDNCD-KSEXSDGBSA-N
XLogP5.14
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.28
LogP ≤ 55.14
H-Bond Donors ≤ 50
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

2-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]benzaldehyde oxime
CID 5416282
2-(3-Chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine
CID 902199
Methyl 2-[[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxy-6-fluorophenyl]methoxyimino]acetate
CID 86598458
Methyl 2-[[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxy-4-fluorophenyl]methoxyimino]acetate
CID 91251763
1-[2-[6-(3-Chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]ethylidene-methoxy-methylazanium
CID 123395489
methylamino (1E)-2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxy-N-methoxybenzenecarboximidate
CID 142095656
2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoxime
CID 902198
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-methoxymethanimine
CID 53735897
N-(3-chlorophenyl)-N-{2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzylidene}amine
CID 45034743
N-tert-butyl-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 3517139
N-(4-chlorophenyl)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 4190976
(NZ)-N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylidene]hydroxylamine
CID 5416283

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The IUPAC name of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine (CID 88512625) is (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine.
What is the SMILES notation for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The canonical SMILES for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine is COc1cc(OC)nc(Oc2ccccc2/C=N\OCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
The InChIKey is MUVHYJNOCCDNCD-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4/c1-26-18-10-19(27-2)25-20(24-18)29-17-6-4-3-5-13(17)11-23-28-12-14-7-8-15(21)9-16(14)22/h3-11H,12H2,1-2H3/b23-11-.
What are the key properties of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine?
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine has a molecular weight of 434.28 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine is sourced from PubChem (CID 88512625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).