2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C9H11N5O3 — CID 656226

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(N)=O)n(C)c1=O
InChIInChI=1S/C9H11N5O3/c1-12-7-6(8(16)13(2)9(12)17)14(4-11-7)3-5(10)15/h4H,3H2,1-2H3,(H2,10,15)
InChIKeyQPSKKCDYWZWBCM-UHFFFAOYSA-N
MW237.22 g/mol
LogP-2.08
Rot. Bonds2

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 656226) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID656226
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(N)=O)n(C)c1=O
InChIInChI=1S/C9H11N5O3/c1-12-7-6(8(16)13(2)9(12)17)14(4-11-7)3-5(10)15/h4H,3H2,1-2H3,(H2,10,15)
InChIKeyQPSKKCDYWZWBCM-UHFFFAOYSA-N
XLogP-2.08
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 656226) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is Cn1c(=O)c2c(ncn2CC(N)=O)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is QPSKKCDYWZWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-12-7-6(8(16)13(2)9(12)17)14(4-11-7)3-5(10)15/h4H,3H2,1-2H3,(H2,10,15).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 237.22 g/mol, XLogP of -2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 656226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).