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

C13H19N5O3 — CID 652907

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H19N5O3/c1-5-17(6-2)9(19)7-18-8-14-11-10(18)12(20)16(4)13(21)15(11)3/h8H,5-7H2,1-4H3
InChIKeyHRIJEJDKCKJHEG-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.70
Rot. Bonds4

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

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide (PubChem CID 652907) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide
PubChem CID652907
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H19N5O3/c1-5-17(6-2)9(19)7-18-8-14-11-10(18)12(20)16(4)13(21)15(11)3/h8H,5-7H2,1-4H3
InChIKeyHRIJEJDKCKJHEG-UHFFFAOYSA-N
XLogP-0.70
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
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)-N,N-diethylacetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide (CID 652907) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide?
The InChIKey is HRIJEJDKCKJHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-5-17(6-2)9(19)7-18-8-14-11-10(18)12(20)16(4)13(21)15(11)3/h8H,5-7H2,1-4H3.
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide has a molecular weight of 293.33 g/mol, XLogP of -0.70, 4 rotatable bonds, 0 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)-N,N-diethylacetamide is sourced from PubChem (CID 652907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).