2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol

C10H19N5O3 — CID 153365638

IUPAC2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
SMILESCC.CO.Nc1nc2c(ncn2CCO)c(=O)[nH]1
InChIInChI=1S/C7H9N5O2.C2H6.CH4O/c8-7-10-5-4(6(14)11-7)9-3-12(5)1-2-13;2*1-2/h3,13H,1-2H2,(H3,8,10,11,14);1-2H3;2H,1H3
InChIKeyINBGDXWLHLDHFF-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.67
Rot. Bonds2

About 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol

2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol (PubChem CID 153365638) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol.

Molecular Properties

Compound Name2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
PubChem CID153365638
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
SMILESCC.CO.Nc1nc2c(ncn2CCO)c(=O)[nH]1
InChIInChI=1S/C7H9N5O2.C2H6.CH4O/c8-7-10-5-4(6(14)11-7)9-3-12(5)1-2-13;2*1-2/h3,13H,1-2H2,(H3,8,10,11,14);1-2H3;2H,1H3
InChIKeyINBGDXWLHLDHFF-UHFFFAOYSA-N
XLogP-0.67
TPSA130.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415593
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-[(3R)-3-fluoro-4-hydroxybutyl]-1H-purin-6-one
CID 136756733
2-amino-9-[3-((19F)fluoromethyl)-4-hydroxybutyl]-1H-purin-6-one
CID 136771556
[2-(acetyloxymethyl)-4-(2-amino-6-oxo-1H-purin-9-yl)butyl] acetate
CID 135428158
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910
2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
CID 135398740
2-amino-9-[(5R)-5,6-dihydroxyhexyl]-1H-purin-6-one
CID 136756758
2-amino-9-[(2R,3R)-3,4-dihydroxy-2-methylbutyl]-1H-purin-6-one
CID 136756749
4-(2-amino-6-oxo-1H-purin-9-yl)butylphosphonic acid
CID 135972449

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol?
The IUPAC name of 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol (CID 153365638) is 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol.
What is the SMILES notation for 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol?
The canonical SMILES for 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol is CC.CO.Nc1nc2c(ncn2CCO)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol?
The InChIKey is INBGDXWLHLDHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2.C2H6.CH4O/c8-7-10-5-4(6(14)11-7)9-3-12(5)1-2-13;2*1-2/h3,13H,1-2H2,(H3,8,10,11,14);1-2H3;2H,1H3.
What are the key properties of 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol?
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol has a molecular weight of 257.29 g/mol, XLogP of -0.67, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol is sourced from PubChem (CID 153365638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).