6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine

C16H12N4O — CID 154330131

IUPAC6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine
SMILESc1coc(-c2ccc(Cc3ncnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C16H12N4O/c1-2-14(21-7-1)12-5-3-11(4-6-12)8-13-15-16(19-9-17-13)20-10-18-15/h1-7,9-10H,8H2,(H,17,18,19,20)
InChIKeyWKRIONSSTCEEAF-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.20
Rot. Bonds3

About 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine

6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine (PubChem CID 154330131) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine.

Molecular Properties

Compound Name6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine
PubChem CID154330131
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine
SMILESc1coc(-c2ccc(Cc3ncnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C16H12N4O/c1-2-14(21-7-1)12-5-3-11(4-6-12)8-13-15-16(19-9-17-13)20-10-18-15/h1-7,9-10H,8H2,(H,17,18,19,20)
InChIKeyWKRIONSSTCEEAF-UHFFFAOYSA-N
XLogP3.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine 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 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine?
The IUPAC name of 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine (CID 154330131) is 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine.
What is the SMILES notation for 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine?
The canonical SMILES for 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine is c1coc(-c2ccc(Cc3ncnc4nc[nH]c34)cc2)c1.
What is the InChIKey of 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine?
The InChIKey is WKRIONSSTCEEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-14(21-7-1)12-5-3-11(4-6-12)8-13-15-16(19-9-17-13)20-10-18-15/h1-7,9-10H,8H2,(H,17,18,19,20).
What are the key properties of 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine?
6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine has a molecular weight of 276.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine is sourced from PubChem (CID 154330131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).