acetamide;3,7-dihydropurine-2,6-dione

C7H9N5O3 — CID 174974977

IUPACacetamide;3,7-dihydropurine-2,6-dione
SMILESCC(N)=O.O=c1[nH]c(=O)c2[nH]cnc2[nH]1
InChIInChI=1S/C5H4N4O2.C2H5NO/c10-4-2-3(7-1-6-2)8-5(11)9-4;1-2(3)4/h1H,(H3,6,7,8,9,10,11);1H3,(H2,3,4)
InChIKeyJARPZVCQWIUWNP-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.57
Rot. Bonds

About acetamide;3,7-dihydropurine-2,6-dione

acetamide;3,7-dihydropurine-2,6-dione (PubChem CID 174974977) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is acetamide;3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Nameacetamide;3,7-dihydropurine-2,6-dione
PubChem CID174974977
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Nameacetamide;3,7-dihydropurine-2,6-dione
SMILESCC(N)=O.O=c1[nH]c(=O)c2[nH]cnc2[nH]1
InChIInChI=1S/C5H4N4O2.C2H5NO/c10-4-2-3(7-1-6-2)8-5(11)9-4;1-2(3)4/h1H,(H3,6,7,8,9,10,11);1H3,(H2,3,4)
InChIKeyJARPZVCQWIUWNP-UHFFFAOYSA-N
XLogP-1.57
TPSA137.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetamide;3,7-dihydropurine-2,6-dione?
The IUPAC name of acetamide;3,7-dihydropurine-2,6-dione (CID 174974977) is acetamide;3,7-dihydropurine-2,6-dione.
What is the SMILES notation for acetamide;3,7-dihydropurine-2,6-dione?
The canonical SMILES for acetamide;3,7-dihydropurine-2,6-dione is CC(N)=O.O=c1[nH]c(=O)c2[nH]cnc2[nH]1.
What is the InChIKey of acetamide;3,7-dihydropurine-2,6-dione?
The InChIKey is JARPZVCQWIUWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2.C2H5NO/c10-4-2-3(7-1-6-2)8-5(11)9-4;1-2(3)4/h1H,(H3,6,7,8,9,10,11);1H3,(H2,3,4).
What are the key properties of acetamide;3,7-dihydropurine-2,6-dione?
acetamide;3,7-dihydropurine-2,6-dione has a molecular weight of 211.18 g/mol, XLogP of -1.57, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 174974977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).