8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine

C20H22N6O — CID 18440417

IUPAC8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine
SMILESCCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21
InChIInChI=1S/C20H22N6O/c1-2-12-26-18(15-9-6-13-27-15)23-16-17(21)24-20(25-19(16)26)22-11-10-14-7-4-3-5-8-14/h3-9,13H,2,10-12H2,1H3,(H3,21,22,24,25)
InChIKeyVPLUNXFWUCASHO-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.73
Rot. Bonds7

About 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine

8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine (PubChem CID 18440417) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine.

Molecular Properties

Compound Name8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine
PubChem CID18440417
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine
SMILESCCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21
InChIInChI=1S/C20H22N6O/c1-2-12-26-18(15-9-6-13-27-15)23-16-17(21)24-20(25-19(16)26)22-11-10-14-7-4-3-5-8-14/h3-9,13H,2,10-12H2,1H3,(H3,21,22,24,25)
InChIKeyVPLUNXFWUCASHO-UHFFFAOYSA-N
XLogP3.73
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine?
The IUPAC name of 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine (CID 18440417) is 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine.
What is the SMILES notation for 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine?
The canonical SMILES for 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine is CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21.
What is the InChIKey of 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine?
The InChIKey is VPLUNXFWUCASHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-2-12-26-18(15-9-6-13-27-15)23-16-17(21)24-20(25-19(16)26)22-11-10-14-7-4-3-5-8-14/h3-9,13H,2,10-12H2,1H3,(H3,21,22,24,25).
What are the key properties of 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine?
8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine has a molecular weight of 362.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-2-N-(2-phenylethyl)-9-propylpurine-2,6-diamine is sourced from PubChem (CID 18440417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).