pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate

C13H13N3O3 — CID 62698645

IUPACpyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCc1ncccn1
InChIInChI=1S/C13H13N3O3/c14-10-4-1-2-5-11(10)18-9-13(17)19-8-12-15-6-3-7-16-12/h1-7H,8-9,14H2
InChIKeyQORMOMBVOLQLLG-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.18
Rot. Bonds5

About pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate

pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate (PubChem CID 62698645) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate.

Molecular Properties

Compound Namepyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
PubChem CID62698645
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Namepyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCc1ncccn1
InChIInChI=1S/C13H13N3O3/c14-10-4-1-2-5-11(10)18-9-13(17)19-8-12-15-6-3-7-16-12/h1-7H,8-9,14H2
InChIKeyQORMOMBVOLQLLG-UHFFFAOYSA-N
XLogP1.18
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-2-pyridinyl)methyl 2-(2-aminophenoxy)acetate
CID 79261578
1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate
CID 61323491
(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate
CID 61321397
(1-methyltriazol-4-yl)methyl 2-(2-aminophenoxy)acetate
CID 107052089
2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
CID 24701689
2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate
CID 61493883
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate
CID 79621275
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
2-(2-aminophenoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79042181
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenoxyacetate
CID 9416576
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 2-(2-aminophenoxy)acetate
CID 61488778

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate?
The IUPAC name of pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate (CID 62698645) is pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate.
What is the SMILES notation for pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate?
The canonical SMILES for pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate is Nc1ccccc1OCC(=O)OCc1ncccn1.
What is the InChIKey of pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate?
The InChIKey is QORMOMBVOLQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-10-4-1-2-5-11(10)18-9-13(17)19-8-12-15-6-3-7-16-12/h1-7H,8-9,14H2.
What are the key properties of pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate?
pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate has a molecular weight of 259.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate is sourced from PubChem (CID 62698645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).