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

C7H7N5O2 — CID 135432176

IUPACN-(6-oxo-1,7-dihydropurin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
InChIKeyMXSMRDDXWJSGMC-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.40
Rot. Bonds1

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

N-(6-oxo-1,7-dihydropurin-2-yl)acetamide (PubChem CID 135432176) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is N-(6-oxo-1,7-dihydropurin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-oxo-1,7-dihydropurin-2-yl)acetamide
PubChem CID135432176
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC NameN-(6-oxo-1,7-dihydropurin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
InChIKeyMXSMRDDXWJSGMC-UHFFFAOYSA-N
XLogP-0.40
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Theobromine
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Guanine
CID 135398634
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CID 80220
Hypoxanthine
CID 135398638
7-Methylxanthine
CID 68374
Dacarbazine
CID 135398738
5-Aminoimidazole-4-carboxamide
CID 9679
Enprofylline
CID 1676
3-Isobutyl-1-methylxanthine
CID 3758

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1,7-dihydropurin-2-yl)acetamide?
The IUPAC name of N-(6-oxo-1,7-dihydropurin-2-yl)acetamide (CID 135432176) is N-(6-oxo-1,7-dihydropurin-2-yl)acetamide.
What is the SMILES notation for N-(6-oxo-1,7-dihydropurin-2-yl)acetamide?
The canonical SMILES for N-(6-oxo-1,7-dihydropurin-2-yl)acetamide is CC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of N-(6-oxo-1,7-dihydropurin-2-yl)acetamide?
The InChIKey is MXSMRDDXWJSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14).
What are the key properties of N-(6-oxo-1,7-dihydropurin-2-yl)acetamide?
N-(6-oxo-1,7-dihydropurin-2-yl)acetamide has a molecular weight of 193.17 g/mol, XLogP of -0.40, 1 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)acetamide is sourced from PubChem (CID 135432176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).