N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide

C10H14N6O3 — CID 135465382

IUPACN-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide
SMILESCC(=O)NCCOCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H14N6O3/c1-6(17)12-2-3-19-5-16-4-13-7-8(16)14-10(11)15-9(7)18/h4H,2-3,5H2,1H3,(H,12,17)(H3,11,14,15,18)
InChIKeyOJRJQTYXAJGBJB-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.19
Rot. Bonds5

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

N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide (PubChem CID 135465382) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide
PubChem CID135465382
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC NameN-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide
SMILESCC(=O)NCCOCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H14N6O3/c1-6(17)12-2-3-19-5-16-4-13-7-8(16)14-10(11)15-9(7)18/h4H,2-3,5H2,1H3,(H,12,17)(H3,11,14,15,18)
InChIKeyOJRJQTYXAJGBJB-UHFFFAOYSA-N
XLogP-1.19
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.19
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide?
The IUPAC name of N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide (CID 135465382) is N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide is CC(=O)NCCOCn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide?
The InChIKey is OJRJQTYXAJGBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-6(17)12-2-3-19-5-16-4-13-7-8(16)14-10(11)15-9(7)18/h4H,2-3,5H2,1H3,(H,12,17)(H3,11,14,15,18).
What are the key properties of N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide?
N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide has a molecular weight of 266.26 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide is sourced from PubChem (CID 135465382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).