1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol

C19H19N5O — CID 132547243

IUPAC1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol
SMILESCCCC(Nc1ncnc2nc[nH]c12)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H19N5O/c1-2-5-14(24-19-17-18(21-10-20-17)22-11-23-19)16-13-7-4-3-6-12(13)8-9-15(16)25/h3-4,6-11,14,25H,2,5H2,1H3,(H2,20,21,22,23,24)
InChIKeyMGXOWCOVAPIHEF-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.16
Rot. Bonds5

About 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol

1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol (PubChem CID 132547243) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol
PubChem CID132547243
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol
SMILESCCCC(Nc1ncnc2nc[nH]c12)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H19N5O/c1-2-5-14(24-19-17-18(21-10-20-17)22-11-23-19)16-13-7-4-3-6-12(13)8-9-15(16)25/h3-4,6-11,14,25H,2,5H2,1H3,(H2,20,21,22,23,24)
InChIKeyMGXOWCOVAPIHEF-UHFFFAOYSA-N
XLogP4.16
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol 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 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol?
The IUPAC name of 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol (CID 132547243) is 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol.
What is the SMILES notation for 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol?
The canonical SMILES for 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol is CCCC(Nc1ncnc2nc[nH]c12)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol?
The InChIKey is MGXOWCOVAPIHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-5-14(24-19-17-18(21-10-20-17)22-11-23-19)16-13-7-4-3-6-12(13)8-9-15(16)25/h3-4,6-11,14,25H,2,5H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol?
1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol has a molecular weight of 333.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol is sourced from PubChem (CID 132547243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).