N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide

C11H15N5O3 — CID 153282951

IUPACN-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide
SMILESCCCCn1c(=O)[nH]c2nc(NC(C)=O)[nH]c(=O)c21
InChIInChI=1S/C11H15N5O3/c1-3-4-5-16-7-8(14-11(16)19)13-10(12-6(2)17)15-9(7)18/h3-5H2,1-2H3,(H3,12,13,14,15,17,18,19)
InChIKeyZEZCPLYSEDUKQI-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.17
Rot. Bonds4

About N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide

N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide (PubChem CID 153282951) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide
PubChem CID153282951
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC NameN-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide
SMILESCCCCn1c(=O)[nH]c2nc(NC(C)=O)[nH]c(=O)c21
InChIInChI=1S/C11H15N5O3/c1-3-4-5-16-7-8(14-11(16)19)13-10(12-6(2)17)15-9(7)18/h3-5H2,1-2H3,(H3,12,13,14,15,17,18,19)
InChIKeyZEZCPLYSEDUKQI-UHFFFAOYSA-N
XLogP0.17
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide?
The IUPAC name of N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide (CID 153282951) is N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide.
What is the SMILES notation for N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide?
The canonical SMILES for N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide is CCCCn1c(=O)[nH]c2nc(NC(C)=O)[nH]c(=O)c21.
What is the InChIKey of N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide?
The InChIKey is ZEZCPLYSEDUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-3-4-5-16-7-8(14-11(16)19)13-10(12-6(2)17)15-9(7)18/h3-5H2,1-2H3,(H3,12,13,14,15,17,18,19).
What are the key properties of N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide?
N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide has a molecular weight of 265.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide is sourced from PubChem (CID 153282951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).