N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline

C21H22N4O3 — CID 4601155

IUPACN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
SMILESCOc1cc(OC)nc(Oc2ccccc2C=NNc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O3/c1-14-8-7-10-17(15(14)2)25-22-13-16-9-5-6-11-18(16)28-21-23-19(26-3)12-20(24-21)27-4/h5-13,25H,1-4H3
InChIKeyZIJSUVCQPBROEB-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.35
Rot. Bonds7

About N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline

N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline (PubChem CID 4601155) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
PubChem CID4601155
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
SMILESCOc1cc(OC)nc(Oc2ccccc2C=NNc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O3/c1-14-8-7-10-17(15(14)2)25-22-13-16-9-5-6-11-18(16)28-21-23-19(26-3)12-20(24-21)27-4/h5-13,25H,1-4H3
InChIKeyZIJSUVCQPBROEB-UHFFFAOYSA-N
XLogP4.35
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
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

N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
CID 3266951
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
CID 143730152
N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 67848902
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 3657523
N-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylphenyl]methylideneamino]-2-phenylacetamide
CID 6163631
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
CID 9014557
2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135541569
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
1-(2,3-dimethylphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6902328
tert-butyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]oxy-3-methylbutanoate
CID 3375552
(Z)-N-[(E)-3-(3-chlorophenyl)prop-2-enoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512667

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline?
The IUPAC name of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline (CID 4601155) is N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline.
What is the SMILES notation for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline?
The canonical SMILES for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline is COc1cc(OC)nc(Oc2ccccc2C=NNc2cccc(C)c2C)n1.
What is the InChIKey of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline?
The InChIKey is ZIJSUVCQPBROEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-8-7-10-17(15(14)2)25-22-13-16-9-5-6-11-18(16)28-21-23-19(26-3)12-20(24-21)27-4/h5-13,25H,1-4H3.
What are the key properties of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline?
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline has a molecular weight of 378.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline is sourced from PubChem (CID 4601155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).