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

C14H15N3O3 — CID 16662001

IUPACmethyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nc(OC)n1
InChIInChI=1S/C14H15N3O3/c1-9-8-12(17-14(15-9)20-3)16-11-7-5-4-6-10(11)13(18)19-2/h4-8H,1-3H3,(H,15,16,17)
InChIKeyIMTKGFBKCQJLLZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.32
Rot. Bonds4

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

methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate (PubChem CID 16662001) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate
PubChem CID16662001
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nc(OC)n1
InChIInChI=1S/C14H15N3O3/c1-9-8-12(17-14(15-9)20-3)16-11-7-5-4-6-10(11)13(18)19-2/h4-8H,1-3H3,(H,15,16,17)
InChIKeyIMTKGFBKCQJLLZ-UHFFFAOYSA-N
XLogP2.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-methoxy-6-methylpyrimidin-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

Related Compounds

methyl 2-[[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112929325
methyl 2-[[2-(2,5-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931164
methyl 2-[[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112929862
methyl 2-[[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoate
CID 112918389
methyl 2-[[2-(3-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931585
methyl 2-[[4-[4-(dimethylamino)anilino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112931594
methyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112878838
methyl 2-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878803
ethyl 2-[[2-(4-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112930767
methyl 2-[[4-(4-ethoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930880
methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
4-[[6-(2-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193329

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate (CID 16662001) is methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate is COC(=O)c1ccccc1Nc1cc(C)nc(OC)n1.
What is the InChIKey of methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate?
The InChIKey is IMTKGFBKCQJLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-8-12(17-14(15-9)20-3)16-11-7-5-4-6-10(11)13(18)19-2/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate?
methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate is sourced from PubChem (CID 16662001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).