2-amino-9-propyl-1H-purin-6-one

C8H11N5O — CID 135415585

IUPAC2-amino-9-propyl-1H-purin-6-one
SMILESCCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H11N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)
InChIKeyOSFDSLRVYKUBOP-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.11
Rot. Bonds2

About 2-amino-9-propyl-1H-purin-6-one

2-amino-9-propyl-1H-purin-6-one (PubChem CID 135415585) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-9-propyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-propyl-1H-purin-6-one
PubChem CID135415585
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-9-propyl-1H-purin-6-one
SMILESCCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H11N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)
InChIKeyOSFDSLRVYKUBOP-UHFFFAOYSA-N
XLogP0.11
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-9-propyl-1H-purin-6-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 2-amino-9-propyl-1H-purin-6-one?
The IUPAC name of 2-amino-9-propyl-1H-purin-6-one (CID 135415585) is 2-amino-9-propyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-propyl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-propyl-1H-purin-6-one is CCCn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-propyl-1H-purin-6-one?
The InChIKey is OSFDSLRVYKUBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14).
What are the key properties of 2-amino-9-propyl-1H-purin-6-one?
2-amino-9-propyl-1H-purin-6-one has a molecular weight of 193.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propyl-1H-purin-6-one is sourced from PubChem (CID 135415585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).