N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide

C14H13N5O3 — CID 136961365

IUPACN-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide
SMILESCOc1ccccc1-c1nc2nc(NC(C)=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C14H13N5O3/c1-7(20)15-14-18-12-10(13(21)19-14)16-11(17-12)8-5-3-4-6-9(8)22-2/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyIFARQEUNUFACMD-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.28
Rot. Bonds3

About N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide

N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide (PubChem CID 136961365) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide
PubChem CID136961365
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide
SMILESCOc1ccccc1-c1nc2nc(NC(C)=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C14H13N5O3/c1-7(20)15-14-18-12-10(13(21)19-14)16-11(17-12)8-5-3-4-6-9(8)22-2/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21)
InChIKeyIFARQEUNUFACMD-UHFFFAOYSA-N
XLogP1.28
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Desulfovardenafil
CID 135406983
2-(2-Propoxyphenyl)-6-purinone
CID 135529458
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-
CID 5379232
8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 10085373
8-(2-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 936355
8-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 76314450
1,3-dimethyl-8-[4-(2-piperidin-4-ylethoxy)phenyl]-7H-purine-2,6-dione
CID 76318040
8-[4-[2-(diethylamino)ethoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 76321753
8-(4-cyclopentyloxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
CID 76336198
8-(4-Ethoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 936373
8-(2,4-dimethoxyphenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 938100
2-(2,5-Dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
CID 135415770

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
The IUPAC name of N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide (CID 136961365) is N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide.
What is the SMILES notation for N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
The canonical SMILES for N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide is COc1ccccc1-c1nc2nc(NC(C)=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
The InChIKey is IFARQEUNUFACMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-7(20)15-14-18-12-10(13(21)19-14)16-11(17-12)8-5-3-4-6-9(8)22-2/h3-6H,1-2H3,(H3,15,16,17,18,19,20,21).
What are the key properties of N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide has a molecular weight of 299.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-methoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide is sourced from PubChem (CID 136961365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).