8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine

C15H15BrFN5O — CID 142646788

IUPAC8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine
SMILESCOCCc1nc(N)c2nc(Br)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C15H15BrFN5O/c1-23-7-6-11-19-13(18)12-14(20-11)22(15(16)21-12)8-9-2-4-10(17)5-3-9/h2-5H,6-8H2,1H3,(H2,18,19,20)
InChIKeyAUKKHQDGXLOXQZ-UHFFFAOYSA-N
MW380.22 g/mol
LogP2.55
Rot. Bonds5

About 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine

8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine (PubChem CID 142646788) has the molecular formula C15H15BrFN5O and a molecular weight of 380.22 g/mol. Its IUPAC name is 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine.

Molecular Properties

Compound Name8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine
PubChem CID142646788
Molecular FormulaC15H15BrFN5O
Molecular Weight380.22 g/mol
Exact Mass379.04
IUPAC Name8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine
SMILESCOCCc1nc(N)c2nc(Br)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C15H15BrFN5O/c1-23-7-6-11-19-13(18)12-14(20-11)22(15(16)21-12)8-9-2-4-10(17)5-3-9/h2-5H,6-8H2,1H3,(H2,18,19,20)
InChIKeyAUKKHQDGXLOXQZ-UHFFFAOYSA-N
XLogP2.55
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)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 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine?
The IUPAC name of 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine (CID 142646788) is 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine.
What is the SMILES notation for 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine?
The canonical SMILES for 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine is COCCc1nc(N)c2nc(Br)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine?
The InChIKey is AUKKHQDGXLOXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN5O/c1-23-7-6-11-19-13(18)12-14(20-11)22(15(16)21-12)8-9-2-4-10(17)5-3-9/h2-5H,6-8H2,1H3,(H2,18,19,20).
What are the key properties of 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine?
8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine has a molecular weight of 380.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)purin-6-amine is sourced from PubChem (CID 142646788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).