6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine

C15H12N6O — CID 59835056

IUPAC6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn(Cc3ccccn3)c2n1
InChIInChI=1S/C15H12N6O/c16-15-19-12(11-5-3-7-22-11)13-14(20-15)21(9-18-13)8-10-4-1-2-6-17-10/h1-7,9H,8H2,(H2,16,19,20)
InChIKeyPKGVVPPJJVQWNH-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.11
Rot. Bonds3

About 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine

6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine (PubChem CID 59835056) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine
PubChem CID59835056
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn(Cc3ccccn3)c2n1
InChIInChI=1S/C15H12N6O/c16-15-19-12(11-5-3-7-22-11)13-14(20-15)21(9-18-13)8-10-4-1-2-6-17-10/h1-7,9H,8H2,(H2,16,19,20)
InChIKeyPKGVVPPJJVQWNH-UHFFFAOYSA-N
XLogP2.11
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine
CID 58758787
9-[(E)-but-2-enyl]-6-(furan-2-yl)purin-2-amine
CID 59834966
6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine
CID 59835097
3-[[2-amino-6-(furan-2-yl)purin-9-yl]methyl]benzonitrile
CID 59835103
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
CID 59834969
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide
CID 59835055
5-chloro-4-(furan-2-yl)-6-(pyridin-2-ylmethoxy)pyrimidin-2-amine
CID 18507689
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide
CID 58758762
6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine
CID 59835049
9-[(3-chlorophenyl)methyl]-6-(furan-2-yl)purine
CID 5270740
2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
CID 71171768
2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 23546893

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine?
The IUPAC name of 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine (CID 59835056) is 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine.
What is the SMILES notation for 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine?
The canonical SMILES for 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine is Nc1nc(-c2ccco2)c2ncn(Cc3ccccn3)c2n1.
What is the InChIKey of 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine?
The InChIKey is PKGVVPPJJVQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-15-19-12(11-5-3-7-22-11)13-14(20-15)21(9-18-13)8-10-4-1-2-6-17-10/h1-7,9H,8H2,(H2,16,19,20).
What are the key properties of 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine?
6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine has a molecular weight of 292.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine is sourced from PubChem (CID 59835056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).