N-benzyl-9-(oxan-2-yl)purin-6-amine

C17H19N5O — CID 16834

IUPACN-benzyl-9-(oxan-2-yl)purin-6-amine
SMILESc1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)
InChIKeyPOFWRMVFWIJXHP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.14
Rot. Bonds4

About N-benzyl-9-(oxan-2-yl)purin-6-amine

N-benzyl-9-(oxan-2-yl)purin-6-amine (PubChem CID 16834) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-benzyl-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-benzyl-9-(oxan-2-yl)purin-6-amine
PubChem CID16834
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-benzyl-9-(oxan-2-yl)purin-6-amine
SMILESc1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)
InChIKeyPOFWRMVFWIJXHP-UHFFFAOYSA-N
XLogP3.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-9-(oxan-2-yl)purin-6-amine 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 N-benzyl-9-(oxan-2-yl)purin-6-amine?
The IUPAC name of N-benzyl-9-(oxan-2-yl)purin-6-amine (CID 16834) is N-benzyl-9-(oxan-2-yl)purin-6-amine.
What is the SMILES notation for N-benzyl-9-(oxan-2-yl)purin-6-amine?
The canonical SMILES for N-benzyl-9-(oxan-2-yl)purin-6-amine is c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1.
What is the InChIKey of N-benzyl-9-(oxan-2-yl)purin-6-amine?
The InChIKey is POFWRMVFWIJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20).
What are the key properties of N-benzyl-9-(oxan-2-yl)purin-6-amine?
N-benzyl-9-(oxan-2-yl)purin-6-amine has a molecular weight of 309.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 16834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).