2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one

C13H13N5O3 — CID 57283192

IUPAC2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one
SMILESNC1(C(=O)COc2ccccc2)NC(=O)c2[nH]cnc2N1
InChIInChI=1S/C13H13N5O3/c14-13(9(19)6-21-8-4-2-1-3-5-8)17-11-10(12(20)18-13)15-7-16-11/h1-5,7,17H,6,14H2,(H,15,16)(H,18,20)
InChIKeyWYIZQXHACGXESP-UHFFFAOYSA-N
MW287.28 g/mol
LogP-0.17
Rot. Bonds4

About 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one

2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one (PubChem CID 57283192) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one
PubChem CID57283192
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one
SMILESNC1(C(=O)COc2ccccc2)NC(=O)c2[nH]cnc2N1
InChIInChI=1S/C13H13N5O3/c14-13(9(19)6-21-8-4-2-1-3-5-8)17-11-10(12(20)18-13)15-7-16-11/h1-5,7,17H,6,14H2,(H,15,16)(H,18,20)
InChIKeyWYIZQXHACGXESP-UHFFFAOYSA-N
XLogP-0.17
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one (CID 57283192) is 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one is NC1(C(=O)COc2ccccc2)NC(=O)c2[nH]cnc2N1.
What is the InChIKey of 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one?
The InChIKey is WYIZQXHACGXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c14-13(9(19)6-21-8-4-2-1-3-5-8)17-11-10(12(20)18-13)15-7-16-11/h1-5,7,17H,6,14H2,(H,15,16)(H,18,20).
What are the key properties of 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one?
2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one has a molecular weight of 287.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-phenoxyacetyl)-3,7-dihydro-1H-purin-6-one is sourced from PubChem (CID 57283192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).