6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one

C8H11N5O2 — CID 71395312

IUPAC6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one
SMILESCn1cnc2c(NCCO)[nH]c(=O)nc21
InChIInChI=1S/C8H11N5O2/c1-13-4-10-5-6(9-2-3-14)11-8(15)12-7(5)13/h4,14H,2-3H2,1H3,(H2,9,11,12,15)
InChIKeyGQQRBGLISCGFJL-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.94
Rot. Bonds3

About 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one

6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one (PubChem CID 71395312) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one
PubChem CID71395312
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one
SMILESCn1cnc2c(NCCO)[nH]c(=O)nc21
InChIInChI=1S/C8H11N5O2/c1-13-4-10-5-6(9-2-3-14)11-8(15)12-7(5)13/h4,14H,2-3H2,1H3,(H2,9,11,12,15)
InChIKeyGQQRBGLISCGFJL-UHFFFAOYSA-N
XLogP-0.94
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one?
The IUPAC name of 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one (CID 71395312) is 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one.
What is the SMILES notation for 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one?
The canonical SMILES for 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one is Cn1cnc2c(NCCO)[nH]c(=O)nc21.
What is the InChIKey of 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one?
The InChIKey is GQQRBGLISCGFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-13-4-10-5-6(9-2-3-14)11-8(15)12-7(5)13/h4,14H,2-3H2,1H3,(H2,9,11,12,15).
What are the key properties of 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one?
6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one has a molecular weight of 209.21 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-9-methyl-1H-purin-2-one is sourced from PubChem (CID 71395312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).