6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine

C20H17N7O — CID 68575116

IUPAC6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn([C@@H](Cc3ccccc3)c3ncc[nH]3)c2n1
InChIInChI=1S/C20H17N7O/c21-20-25-16(15-7-4-10-28-15)17-19(26-20)27(12-24-17)14(18-22-8-9-23-18)11-13-5-2-1-3-6-13/h1-10,12,14H,11H2,(H,22,23)(H2,21,25,26)/t14-/m0/s1
InChIKeyQSUSKFFRETXCHY-AWEZNQCLSA-N
MW371.40 g/mol
LogP3.22
Rot. Bonds5

About 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine

6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine (PubChem CID 68575116) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine
PubChem CID68575116
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine
SMILESNc1nc(-c2ccco2)c2ncn([C@@H](Cc3ccccc3)c3ncc[nH]3)c2n1
InChIInChI=1S/C20H17N7O/c21-20-25-16(15-7-4-10-28-15)17-19(26-20)27(12-24-17)14(18-22-8-9-23-18)11-13-5-2-1-3-6-13/h1-10,12,14H,11H2,(H,22,23)(H2,21,25,26)/t14-/m0/s1
InChIKeyQSUSKFFRETXCHY-AWEZNQCLSA-N
XLogP3.22
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine?
The IUPAC name of 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine (CID 68575116) is 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine.
What is the SMILES notation for 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine?
The canonical SMILES for 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine is Nc1nc(-c2ccco2)c2ncn([C@@H](Cc3ccccc3)c3ncc[nH]3)c2n1.
What is the InChIKey of 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine?
The InChIKey is QSUSKFFRETXCHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17N7O/c21-20-25-16(15-7-4-10-28-15)17-19(26-20)27(12-24-17)14(18-22-8-9-23-18)11-13-5-2-1-3-6-13/h1-10,12,14H,11H2,(H,22,23)(H2,21,25,26)/t14-/m0/s1.
What are the key properties of 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine?
6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine has a molecular weight of 371.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine is sourced from PubChem (CID 68575116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).