N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide

C10H13N5O4 — CID 135443999

IUPACN-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1
InChIInChI=1S/C10H13N5O4/c1-6(17)12-10-13-8-7(9(18)14-10)11-4-15(8)5-19-3-2-16/h4,16H,2-3,5H2,1H3,(H2,12,13,14,17,18)
InChIKeyDJMINGJGFGSDDB-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.96
Rot. Bonds5

About N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide

N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide (PubChem CID 135443999) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide.

Molecular Properties

Compound NameN-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide
PubChem CID135443999
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1
InChIInChI=1S/C10H13N5O4/c1-6(17)12-10-13-8-7(9(18)14-10)11-4-15(8)5-19-3-2-16/h4,16H,2-3,5H2,1H3,(H2,12,13,14,17,18)
InChIKeyDJMINGJGFGSDDB-UHFFFAOYSA-N
XLogP-0.96
TPSA122.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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7-Methylguanine
CID 135398679
Valganciclovir Hydrochloride
CID 135413534
9-Methylguanine
CID 135403591
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CID 135433881
Acyclovir triphosphate
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9-Carboxymethoxymethylguanine
CID 135508007

Frequently Asked Questions

What is the IUPAC name of N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide?
The IUPAC name of N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide (CID 135443999) is N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide.
What is the SMILES notation for N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide?
The canonical SMILES for N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide is CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1.
What is the InChIKey of N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide?
The InChIKey is DJMINGJGFGSDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-6(17)12-10-13-8-7(9(18)14-10)11-4-15(8)5-19-3-2-16/h4,16H,2-3,5H2,1H3,(H2,12,13,14,17,18).
What are the key properties of N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide?
N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide has a molecular weight of 267.25 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide is sourced from PubChem (CID 135443999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).