methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate

C20H19N3O4 — CID 68915224

IUPACmethyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-15(20(24)27-3)18(10-13)26-2/h4-12H,1-3H3,(H,21,22,23)
InChIKeyHDQCWWAIRDKFJS-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.69
Rot. Bonds6

About methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate

methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate (PubChem CID 68915224) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
PubChem CID68915224
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-15(20(24)27-3)18(10-13)26-2/h4-12H,1-3H3,(H,21,22,23)
InChIKeyHDQCWWAIRDKFJS-UHFFFAOYSA-N
XLogP3.69
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
The IUPAC name of methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate (CID 68915224) is methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
The canonical SMILES for methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate is COC(=O)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
The InChIKey is HDQCWWAIRDKFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-15(20(24)27-3)18(10-13)26-2/h4-12H,1-3H3,(H,21,22,23).
What are the key properties of methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate?
methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate is sourced from PubChem (CID 68915224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).