N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide

C13H11N5O2 — CID 135734285

IUPACN-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11N5O2/c19-9(6-8-4-2-1-3-5-8)16-13-17-11-10(12(20)18-13)14-7-15-11/h1-5,7H,6H2,(H3,14,15,16,17,18,19,20)
InChIKeyKTZHKRSJEYBDFG-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.83
Rot. Bonds3

About N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide

N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide (PubChem CID 135734285) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide
PubChem CID135734285
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11N5O2/c19-9(6-8-4-2-1-3-5-8)16-13-17-11-10(12(20)18-13)14-7-15-11/h1-5,7H,6H2,(H3,14,15,16,17,18,19,20)
InChIKeyKTZHKRSJEYBDFG-UHFFFAOYSA-N
XLogP0.83
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-1,7-dihydropurin-2-yl)butanamide
CID 135411165
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
CID 135456846
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate
CID 135748399
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one
CID 135435088
2-[benzyl(methyl)amino]-1,7-dihydropurin-6-one
CID 141084807
2-[(2-aminonaphthalen-1-yl)amino]-1,7-dihydropurin-6-one
CID 169449405
2-(trifluoromethylamino)-1,7-dihydropurin-6-one
CID 141084811
2-(2,2-dimethoxyethylamino)-1,7-dihydropurin-6-one
CID 136951529
[(6-oxo-1,7-dihydropurin-2-yl)amino]methyl pentanoate
CID 141073885
2-(methylamino)-1,7-dihydropurin-6-one;thiophene
CID 174493595
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide?
The IUPAC name of N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide (CID 135734285) is N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide?
The InChIKey is KTZHKRSJEYBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-9(6-8-4-2-1-3-5-8)16-13-17-11-10(12(20)18-13)14-7-15-11/h1-5,7H,6H2,(H3,14,15,16,17,18,19,20).
What are the key properties of N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide?
N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide has a molecular weight of 269.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 135734285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).