2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide

C14H23N5O3 — CID 54760769

IUPAC2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
SMILESCCC(C)CNC(=O)CN1C=NC2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C14H23N5O3/c1-5-9(2)6-15-10(20)7-19-8-16-12-11(19)13(21)18(4)14(22)17(12)3/h8-9,11-12H,5-7H2,1-4H3,(H,15,20)
InChIKeyXQAUSIAIFNLMBY-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.29
Rot. Bonds5

About 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide

2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide (PubChem CID 54760769) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
PubChem CID54760769
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
SMILESCCC(C)CNC(=O)CN1C=NC2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C14H23N5O3/c1-5-9(2)6-15-10(20)7-19-8-16-12-11(19)13(21)18(4)14(22)17(12)3/h8-9,11-12H,5-7H2,1-4H3,(H,15,20)
InChIKeyXQAUSIAIFNLMBY-UHFFFAOYSA-N
XLogP-0.29
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide (CID 54760769) is 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide is CCC(C)CNC(=O)CN1C=NC2C1C(=O)N(C)C(=O)N2C.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide?
The InChIKey is XQAUSIAIFNLMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-5-9(2)6-15-10(20)7-19-8-16-12-11(19)13(21)18(4)14(22)17(12)3/h8-9,11-12H,5-7H2,1-4H3,(H,15,20).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide?
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide has a molecular weight of 309.37 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide is sourced from PubChem (CID 54760769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).