methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate

C20H19N3O3 — CID 20898989

IUPACmethyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2cc(-c3ccc(OC)cc3)nc(C)n2)c1
InChIInChI=1S/C20H19N3O3/c1-13-21-18(14-7-9-17(25-2)10-8-14)12-19(22-13)23-16-6-4-5-15(11-16)20(24)26-3/h4-12H,1-3H3,(H,21,22,23)
InChIKeyFLFJWUIXKSTIOH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.99
Rot. Bonds5

About methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate

methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate (PubChem CID 20898989) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate
PubChem CID20898989
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namemethyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2cc(-c3ccc(OC)cc3)nc(C)n2)c1
InChIInChI=1S/C20H19N3O3/c1-13-21-18(14-7-9-17(25-2)10-8-14)12-19(22-13)23-16-6-4-5-15(11-16)20(24)26-3/h4-12H,1-3H3,(H,21,22,23)
InChIKeyFLFJWUIXKSTIOH-UHFFFAOYSA-N
XLogP3.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate with MolForge

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Related Compounds

N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
methyl 3-[[6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112874335
methyl 3-[[6-(4-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878840
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
methyl 3-[[2-(4-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112930735
methyl 3-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930678
methyl 3-[[6-[(2,5-dimethylphenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112848978
methyl 3-[[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878168
methyl 3-hydroxy-4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzoate
CID 108778108
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
methyl 3-[[6-(3-methoxypropylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 109365289

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate (CID 20898989) is methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate is COC(=O)c1cccc(Nc2cc(-c3ccc(OC)cc3)nc(C)n2)c1.
What is the InChIKey of methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate?
The InChIKey is FLFJWUIXKSTIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-21-18(14-7-9-17(25-2)10-8-14)12-19(22-13)23-16-6-4-5-15(11-16)20(24)26-3/h4-12H,1-3H3,(H,21,22,23).
What are the key properties of methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate?
methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate has a molecular weight of 349.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate is sourced from PubChem (CID 20898989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).