methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate

C22H18N4O3 — CID 22543668

IUPACmethyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ncnc(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C22H18N4O3/c1-28-22(27)17-8-4-5-9-18(17)26-20-19(23)21(25-13-24-20)29-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,23H2,1H3,(H,24,25,26)
InChIKeyHSKUJOFUYDZPPL-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.53
Rot. Bonds5

About methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate

methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate (PubChem CID 22543668) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate
PubChem CID22543668
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Namemethyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ncnc(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C22H18N4O3/c1-28-22(27)17-8-4-5-9-18(17)26-20-19(23)21(25-13-24-20)29-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,23H2,1H3,(H,24,25,26)
InChIKeyHSKUJOFUYDZPPL-UHFFFAOYSA-N
XLogP4.53
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate with MolForge

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Related Compounds

methyl 2-[[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoate
CID 19146270
methyl 2-[(5-amino-6-hydrazinylpyrimidin-4-yl)amino]benzoate
CID 19146230
methyl 2-[[5-amino-6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 19135033
methyl 2-[(5-amino-6-anilinopyrimidin-4-yl)amino]benzoate
CID 19146204
1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
CID 22543595
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544764
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594
methyl 2-[[5-amino-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 22542339
4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543583
methyl 4-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544856
methyl 2-[[5-amino-6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 19136754
methyl 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 22544319

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate?
The IUPAC name of methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate (CID 22543668) is methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate is COC(=O)c1ccccc1Nc1ncnc(Oc2ccc3ccccc3c2)c1N.
What is the InChIKey of methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate?
The InChIKey is HSKUJOFUYDZPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-28-22(27)17-8-4-5-9-18(17)26-20-19(23)21(25-13-24-20)29-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,23H2,1H3,(H,24,25,26).
What are the key properties of methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate?
methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate has a molecular weight of 386.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate is sourced from PubChem (CID 22543668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).