9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine

C20H17N7O — CID 58758787

IUPAC9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn(Cc3nccn3Cc3ccccc3)c2n1
InChIInChI=1S/C20H17N7O/c21-20-24-17(15-7-4-10-28-15)18-19(25-20)27(13-23-18)12-16-22-8-9-26(16)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H2,21,24,25)
InChIKeyDRDQPADFGQGDGQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.96
Rot. Bonds5

About 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine

9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine (PubChem CID 58758787) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine.

Molecular Properties

Compound Name9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine
PubChem CID58758787
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn(Cc3nccn3Cc3ccccc3)c2n1
InChIInChI=1S/C20H17N7O/c21-20-24-17(15-7-4-10-28-15)18-19(25-20)27(13-23-18)12-16-22-8-9-26(16)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H2,21,24,25)
InChIKeyDRDQPADFGQGDGQ-UHFFFAOYSA-N
XLogP2.96
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine
CID 59835056
3-[[2-amino-6-(furan-2-yl)purin-9-yl]methyl]benzonitrile
CID 59835103
6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine
CID 59835097
9-[(E)-but-2-enyl]-6-(furan-2-yl)purin-2-amine
CID 59834966
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
CID 59834969
9-[(3-chlorophenyl)methyl]-6-(furan-2-yl)purine
CID 5270740
6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine
CID 59835049
2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
CID 71171768
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide
CID 59835055
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
2-amino-8-benzyl-6-(furan-2-yl)purine-9-carboxamide
CID 141071926
5-chloro-4-(furan-2-yl)-6-phenylmethoxypyrimidin-2-amine
CID 18507653

Frequently Asked Questions

What is the IUPAC name of 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine?
The IUPAC name of 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine (CID 58758787) is 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine.
What is the SMILES notation for 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine?
The canonical SMILES for 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine is Nc1nc(-c2ccco2)c2ncn(Cc3nccn3Cc3ccccc3)c2n1.
What is the InChIKey of 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine?
The InChIKey is DRDQPADFGQGDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-20-24-17(15-7-4-10-28-15)18-19(25-20)27(13-23-18)12-16-22-8-9-26(16)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H2,21,24,25).
What are the key properties of 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine?
9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine has a molecular weight of 371.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine is sourced from PubChem (CID 58758787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).