methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate

C19H18N4O4 — CID 22544764

IUPACmethyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc(Nc3ccccc3OC)c2N)cc1
InChIInChI=1S/C19H18N4O4/c1-25-15-6-4-3-5-14(15)23-17-16(20)18(22-11-21-17)27-13-9-7-12(8-10-13)19(24)26-2/h3-11H,20H2,1-2H3,(H,21,22,23)
InChIKeyZJNWWPSZHSKWMA-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.39
Rot. Bonds6

About methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate

methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate (PubChem CID 22544764) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
PubChem CID22544764
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Namemethyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc(Nc3ccccc3OC)c2N)cc1
InChIInChI=1S/C19H18N4O4/c1-25-15-6-4-3-5-14(15)23-17-16(20)18(22-11-21-17)27-13-9-7-12(8-10-13)19(24)26-2/h3-11H,20H2,1-2H3,(H,21,22,23)
InChIKeyZJNWWPSZHSKWMA-UHFFFAOYSA-N
XLogP3.39
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544856
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756
methyl 4-(5,6-diaminopyrimidin-4-yl)oxybenzoate
CID 22544690
methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate
CID 22543668
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate
CID 22544845
methyl 4-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]oxybenzoate
CID 22544861
methyl 4-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483341
methyl 4-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22541916
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
methyl 4-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483451
6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541998

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate?
The IUPAC name of methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate (CID 22544764) is methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate?
The canonical SMILES for methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate is COC(=O)c1ccc(Oc2ncnc(Nc3ccccc3OC)c2N)cc1.
What is the InChIKey of methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate?
The InChIKey is ZJNWWPSZHSKWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-25-15-6-4-3-5-14(15)23-17-16(20)18(22-11-21-17)27-13-9-7-12(8-10-13)19(24)26-2/h3-11H,20H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate?
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate has a molecular weight of 366.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate is sourced from PubChem (CID 22544764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).