N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide

C9H11N5O2 — CID 14713812

IUPACN-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide
SMILESCC(=O)/N=c1/c2[nH]c(=O)n(C)c2ncn1C
InChIInChI=1S/C9H11N5O2/c1-5(15)11-8-6-7(10-4-13(8)2)14(3)9(16)12-6/h4H,1-3H3,(H,12,16)/b11-8-
InChIKeyFLJHBEIJDZKMNG-FLIBITNWSA-N
MW221.22 g/mol
LogP-0.95
Rot. Bonds

About N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide

N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide (PubChem CID 14713812) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide.

Molecular Properties

Compound NameN-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide
PubChem CID14713812
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide
SMILESCC(=O)/N=c1/c2[nH]c(=O)n(C)c2ncn1C
InChIInChI=1S/C9H11N5O2/c1-5(15)11-8-6-7(10-4-13(8)2)14(3)9(16)12-6/h4H,1-3H3,(H,12,16)/b11-8-
InChIKeyFLJHBEIJDZKMNG-FLIBITNWSA-N
XLogP-0.95
TPSA85.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide?
The IUPAC name of N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide (CID 14713812) is N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide.
What is the SMILES notation for N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide?
The canonical SMILES for N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide is CC(=O)/N=c1/c2[nH]c(=O)n(C)c2ncn1C.
What is the InChIKey of N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide?
The InChIKey is FLJHBEIJDZKMNG-FLIBITNWSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5(15)11-8-6-7(10-4-13(8)2)14(3)9(16)12-6/h4H,1-3H3,(H,12,16)/b11-8-.
What are the key properties of N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide?
N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide has a molecular weight of 221.22 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dimethyl-8-oxo-7H-purin-6-ylidene)acetamide is sourced from PubChem (CID 14713812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).