2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide

C10H18IN5O3 — CID 70456598

IUPAC2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide
SMILESCN1CN(COCCO)c2nc(N)n(C)c(=O)c21.I
InChIInChI=1S/C10H17N5O3.HI/c1-13-5-15(6-18-4-3-16)8-7(13)9(17)14(2)10(11)12-8;/h16H,3-6H2,1-2H3,(H2,11,12);1H
InChIKeyWXYYLMGWIMHPCQ-UHFFFAOYSA-N
MW383.19 g/mol
LogP-0.84
Rot. Bonds4

About 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide

2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide (PubChem CID 70456598) has the molecular formula C10H18IN5O3 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide.

Molecular Properties

Compound Name2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide
PubChem CID70456598
Molecular FormulaC10H18IN5O3
Molecular Weight383.19 g/mol
Exact Mass383.05
IUPAC Name2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide
SMILESCN1CN(COCCO)c2nc(N)n(C)c(=O)c21.I
InChIInChI=1S/C10H17N5O3.HI/c1-13-5-15(6-18-4-3-16)8-7(13)9(17)14(2)10(11)12-8;/h16H,3-6H2,1-2H3,(H2,11,12);1H
InChIKeyWXYYLMGWIMHPCQ-UHFFFAOYSA-N
XLogP-0.84
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide?
The IUPAC name of 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide (CID 70456598) is 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide.
What is the SMILES notation for 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide?
The canonical SMILES for 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide is CN1CN(COCCO)c2nc(N)n(C)c(=O)c21.I.
What is the InChIKey of 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide?
The InChIKey is WXYYLMGWIMHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3.HI/c1-13-5-15(6-18-4-3-16)8-7(13)9(17)14(2)10(11)12-8;/h16H,3-6H2,1-2H3,(H2,11,12);1H.
What are the key properties of 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide?
2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide has a molecular weight of 383.19 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-8H-purin-6-one;hydroiodide is sourced from PubChem (CID 70456598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).