2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one

C11H17N5O2 — CID 135415593

IUPAC2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2CCCCCCO)c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c12-11-14-9-8(10(18)15-11)13-7-16(9)5-3-1-2-4-6-17/h7,17H,1-6H2,(H3,12,14,15,18)
InChIKeyNFTWYTZTYFBJFV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.25
Rot. Bonds6

About 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one

2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one (PubChem CID 135415593) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
PubChem CID135415593
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2CCCCCCO)c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c12-11-14-9-8(10(18)15-11)13-7-16(9)5-3-1-2-4-6-17/h7,17H,1-6H2,(H3,12,14,15,18)
InChIKeyNFTWYTZTYFBJFV-UHFFFAOYSA-N
XLogP0.25
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-9-(6-hydroxyhexyl)-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

Related Compounds

2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-[(5R)-5,6-dihydroxyhexyl]-1H-purin-6-one
CID 136756758
4-(2-amino-6-oxo-1H-purin-9-yl)butylphosphonic acid
CID 135972449
2-amino-9-[12-(2-amino-6-oxo-1H-purin-9-yl)dodeca-5,7-diynyl]-1H-purin-6-one
CID 136682581
2-amino-9-[5-(methylsulfonimidoyl)pentyl]-1H-purin-6-one
CID 135432866
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-tricosa-10,12-diynyl-1H-purin-6-one
CID 136682583
2-amino-9-[(3R)-3-fluoro-4-hydroxybutyl]-1H-purin-6-one
CID 136756733
2-amino-9-[7-oxo-7-(2-oxocyclohexyl)heptyl]-1H-purin-6-one
CID 137211637
2-amino-9-[3-((19F)fluoromethyl)-4-hydroxybutyl]-1H-purin-6-one
CID 136771556
2-amino-9-ethyl-1H-purin-6-one
CID 135415584

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one?
The IUPAC name of 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one (CID 135415593) is 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one is Nc1nc2c(ncn2CCCCCCO)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one?
The InChIKey is NFTWYTZTYFBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-11-14-9-8(10(18)15-11)13-7-16(9)5-3-1-2-4-6-17/h7,17H,1-6H2,(H3,12,14,15,18).
What are the key properties of 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one?
2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one is sourced from PubChem (CID 135415593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).