2-amino-9-propyl-7,8-dihydro-1H-purin-6-one

C8H13N5O — CID 135773303

IUPAC2-amino-9-propyl-7,8-dihydro-1H-purin-6-one
SMILESCCCN1CNc2c1nc(N)[nH]c2=O
InChIInChI=1S/C8H13N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h10H,2-4H2,1H3,(H3,9,11,12,14)
InChIKeyHWJBYIMFDANQQE-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.05
Rot. Bonds2

About 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one

2-amino-9-propyl-7,8-dihydro-1H-purin-6-one (PubChem CID 135773303) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-propyl-7,8-dihydro-1H-purin-6-one
PubChem CID135773303
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-9-propyl-7,8-dihydro-1H-purin-6-one
SMILESCCCN1CNc2c1nc(N)[nH]c2=O
InChIInChI=1S/C8H13N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h10H,2-4H2,1H3,(H3,9,11,12,14)
InChIKeyHWJBYIMFDANQQE-UHFFFAOYSA-N
XLogP-0.05
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-9-propyl-7,8-dihydro-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-7,8-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one (CID 135773303) is 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one is CCCN1CNc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one?
The InChIKey is HWJBYIMFDANQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h10H,2-4H2,1H3,(H3,9,11,12,14).
What are the key properties of 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one?
2-amino-9-propyl-7,8-dihydro-1H-purin-6-one has a molecular weight of 195.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propyl-7,8-dihydro-1H-purin-6-one is sourced from PubChem (CID 135773303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).