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

C24H31N3O4 — CID 143730152

IUPAC1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
SMILESCC.CC.COc1cccc(/N=C/c2ccccc2Oc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C20H19N3O4.2C2H6/c1-24-16-9-6-8-15(11-16)21-13-14-7-4-5-10-17(14)27-20-22-18(25-2)12-19(23-20)26-3;2*1-2/h4-13H,1-3H3;2*1-2H3/b21-13+;;
InChIKeyRAZOOVAQGKTSLG-ORKRDPRMSA-N
MW425.53 g/mol
LogP6.10
Rot. Bonds7

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

1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane (PubChem CID 143730152) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane.

Molecular Properties

Compound Name1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
PubChem CID143730152
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
SMILESCC.CC.COc1cccc(/N=C/c2ccccc2Oc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C20H19N3O4.2C2H6/c1-24-16-9-6-8-15(11-16)21-13-14-7-4-5-10-17(14)27-20-22-18(25-2)12-19(23-20)26-3;2*1-2/h4-13H,1-3H3;2*1-2H3/b21-13+;;
InChIKeyRAZOOVAQGKTSLG-ORKRDPRMSA-N
XLogP6.10
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
CID 4601155
N-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)methanimine
CID 86728650
4,6-dimethoxy-2-[2-(2-nitroprop-1-enyl)phenoxy]pyrimidine
CID 67671717
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
CID 139643232
1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
CID 3266951
(Z)-N-[(E)-3-(3-chlorophenyl)prop-2-enoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512667
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane?
The IUPAC name of 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane (CID 143730152) is 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane.
What is the SMILES notation for 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane?
The canonical SMILES for 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane is CC.CC.COc1cccc(/N=C/c2ccccc2Oc2nc(OC)cc(OC)n2)c1.
What is the InChIKey of 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane?
The InChIKey is RAZOOVAQGKTSLG-ORKRDPRMSA-N. The full InChI is InChI=1S/C20H19N3O4.2C2H6/c1-24-16-9-6-8-15(11-16)21-13-14-7-4-5-10-17(14)27-20-22-18(25-2)12-19(23-20)26-3;2*1-2/h4-13H,1-3H3;2*1-2H3/b21-13+;;.
What are the key properties of 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane?
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane has a molecular weight of 425.53 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane is sourced from PubChem (CID 143730152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).