2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide

C12H15N7O4 — CID 118970195

IUPAC2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide
SMILESCc1noc(Cn2c(=O)c3c(n(C)c2=O)NCN3CC(N)=O)n1
InChIInChI=1S/C12H15N7O4/c1-6-15-8(23-16-6)4-19-11(21)9-10(17(2)12(19)22)14-5-18(9)3-7(13)20/h14H,3-5H2,1-2H3,(H2,13,20)
InChIKeyWIKIRIQVNFSVGH-UHFFFAOYSA-N
MW321.30 g/mol
LogP-2.04
Rot. Bonds4

About 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide

2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide (PubChem CID 118970195) has the molecular formula C12H15N7O4 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide
PubChem CID118970195
Molecular FormulaC12H15N7O4
Molecular Weight321.30 g/mol
Exact Mass321.12
IUPAC Name2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide
SMILESCc1noc(Cn2c(=O)c3c(n(C)c2=O)NCN3CC(N)=O)n1
InChIInChI=1S/C12H15N7O4/c1-6-15-8(23-16-6)4-19-11(21)9-10(17(2)12(19)22)14-5-18(9)3-7(13)20/h14H,3-5H2,1-2H3,(H2,13,20)
InChIKeyWIKIRIQVNFSVGH-UHFFFAOYSA-N
XLogP-2.04
TPSA141.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide?
The IUPAC name of 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide (CID 118970195) is 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide.
What is the SMILES notation for 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide?
The canonical SMILES for 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide is Cc1noc(Cn2c(=O)c3c(n(C)c2=O)NCN3CC(N)=O)n1.
What is the InChIKey of 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide?
The InChIKey is WIKIRIQVNFSVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O4/c1-6-15-8(23-16-6)4-19-11(21)9-10(17(2)12(19)22)14-5-18(9)3-7(13)20/h14H,3-5H2,1-2H3,(H2,13,20).
What are the key properties of 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide?
2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide has a molecular weight of 321.30 g/mol, XLogP of -2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-8,9-dihydropurin-7-yl]acetamide is sourced from PubChem (CID 118970195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).