N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide

C10H13N5O3 — CID 15167685

IUPACN-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2c(ncn2COCCO)n1
InChIInChI=1S/C10H13N5O3/c1-7(17)13-10-11-4-8-9(14-10)12-5-15(8)6-18-3-2-16/h4-5,16H,2-3,6H2,1H3,(H,11,13,14,17)
InChIKeyHNYYYOUKRAXJHB-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.25
Rot. Bonds5

About N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide

N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide (PubChem CID 15167685) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide
PubChem CID15167685
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC NameN-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2c(ncn2COCCO)n1
InChIInChI=1S/C10H13N5O3/c1-7(17)13-10-11-4-8-9(14-10)12-5-15(8)6-18-3-2-16/h4-5,16H,2-3,6H2,1H3,(H,11,13,14,17)
InChIKeyHNYYYOUKRAXJHB-UHFFFAOYSA-N
XLogP-0.25
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide?
The IUPAC name of N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide (CID 15167685) is N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide.
What is the SMILES notation for N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide?
The canonical SMILES for N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide is CC(=O)Nc1ncc2c(ncn2COCCO)n1.
What is the InChIKey of N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide?
The InChIKey is HNYYYOUKRAXJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-7(17)13-10-11-4-8-9(14-10)12-5-15(8)6-18-3-2-16/h4-5,16H,2-3,6H2,1H3,(H,11,13,14,17).
What are the key properties of N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide?
N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide has a molecular weight of 251.25 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide is sourced from PubChem (CID 15167685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).