2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one

C10H16N6O3 — CID 135465380

IUPAC2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one
SMILESNCCOCCOCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H16N6O3/c11-1-2-18-3-4-19-6-16-5-13-7-8(16)14-10(12)15-9(7)17/h5H,1-4,6,11H2,(H3,12,14,15,17)
InChIKeyPJEHCXHQVMNJLT-UHFFFAOYSA-N
MW268.28 g/mol
LogP-1.35
Rot. Bonds7

About 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one

2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one (PubChem CID 135465380) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one
PubChem CID135465380
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one
SMILESNCCOCCOCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H16N6O3/c11-1-2-18-3-4-19-6-16-5-13-7-8(16)14-10(12)15-9(7)17/h5H,1-4,6,11H2,(H3,12,14,15,17)
InChIKeyPJEHCXHQVMNJLT-UHFFFAOYSA-N
XLogP-1.35
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-9-[2-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethoxy]ethoxymethyl]-1H-purin-6-one
CID 138393908
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethylphosphonic acid
CID 135787101
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2,3-dimethylbutanoate
CID 135992007
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;butanedioic acid
CID 135753375
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-N-methylphosphonamidic acid
CID 135992380
tetralithium;2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane
CID 173301328
tris(2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate);dihydrochloride
CID 173044394
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;prop-2-enoate
CID 135763277
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl hexanoate
CID 135465921
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl tridecanoate
CID 135937374
2-amino-9-ethyl-1H-purin-6-one
CID 135415584

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one (CID 135465380) is 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one is NCCOCCOCn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one?
The InChIKey is PJEHCXHQVMNJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c11-1-2-18-3-4-19-6-16-5-13-7-8(16)14-10(12)15-9(7)17/h5H,1-4,6,11H2,(H3,12,14,15,17).
What are the key properties of 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one?
2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one has a molecular weight of 268.28 g/mol, XLogP of -1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one is sourced from PubChem (CID 135465380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).