4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide

C21H22N4O4 — CID 3043892

IUPAC4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1cc(-c2nc(C)cc(Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-12-9-18(24-15-7-5-13(6-8-15)20(22)26)25-21(23-12)14-10-16(27-2)19(29-4)17(11-14)28-3/h5-11H,1-4H3,(H2,22,26)(H,23,24,25)
InChIKeyJKCIEZBEMDSXRD-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.32
Rot. Bonds7

About 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide

4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 3043892) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID3043892
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1cc(-c2nc(C)cc(Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-12-9-18(24-15-7-5-13(6-8-15)20(22)26)25-21(23-12)14-10-16(27-2)19(29-4)17(11-14)28-3/h5-11H,1-4H3,(H2,22,26)(H,23,24,25)
InChIKeyJKCIEZBEMDSXRD-UHFFFAOYSA-N
XLogP3.32
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-3,4-dimethoxybenzamide
CID 44826831
N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
CID 3044721
4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 20997773
4-[[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194295
methyl 4-[(2-anilino-6-methylpyrimidin-4-yl)amino]benzoate
CID 112926950
N'-hydroxy-4-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-thiadiazol-5-yl]amino]benzenecarboximidamide
CID 139030788
1-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112931251
1-[3-[[6-amino-2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 53214686
4-[[6-[acetyl(hydroxy)amino]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]benzamide
CID 54480966

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide (CID 3043892) is 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide is COc1cc(-c2nc(C)cc(Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is JKCIEZBEMDSXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12-9-18(24-15-7-5-13(6-8-15)20(22)26)25-21(23-12)14-10-16(27-2)19(29-4)17(11-14)28-3/h5-11H,1-4H3,(H2,22,26)(H,23,24,25).
What are the key properties of 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide?
4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 3043892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).