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

C20H20N4O3 — CID 112878293

IUPACmethyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(Nc3ccccc3OC)nc(C)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-13-21-18(23-15-10-8-14(9-11-15)20(25)27-3)12-19(22-13)24-16-6-4-5-7-17(16)26-2/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyRPJHZYLPHLXWMB-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.07
Rot. Bonds6

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

methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate (PubChem CID 112878293) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
PubChem CID112878293
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Namemethyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(Nc3ccccc3OC)nc(C)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-13-21-18(23-15-10-8-14(9-11-15)20(25)27-3)12-19(22-13)24-16-6-4-5-7-17(16)26-2/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyRPJHZYLPHLXWMB-UHFFFAOYSA-N
XLogP4.07
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 4-[[6-(2-tert-butylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877772
methyl 4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877116
methyl 3-[[6-(4-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878840
4-[[6-(2-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193329
N-[3-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878289
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286
methyl 4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112904543
methyl 4-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877490
methyl 4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877592
methyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112867586
methyl 2-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878803

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate (CID 112878293) is methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate is COC(=O)c1ccc(Nc2cc(Nc3ccccc3OC)nc(C)n2)cc1.
What is the InChIKey of methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate?
The InChIKey is RPJHZYLPHLXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-21-18(23-15-10-8-14(9-11-15)20(25)27-3)12-19(22-13)24-16-6-4-5-7-17(16)26-2/h4-12H,1-3H3,(H2,21,22,23,24).
What are the key properties of methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate?
methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate has a molecular weight of 364.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate is sourced from PubChem (CID 112878293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).