4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol

C18H17N5O2 — CID 58956238

IUPAC4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol
SMILESCN(C)c1nc(-c2ccco2)c2ncn(Cc3ccc(O)cc3)c2n1
InChIInChI=1S/C18H17N5O2/c1-22(2)18-20-15(14-4-3-9-25-14)16-17(21-18)23(11-19-16)10-12-5-7-13(24)8-6-12/h3-9,11,24H,10H2,1-2H3
InChIKeyPEDGXTSEEZGBHR-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.91
Rot. Bonds4

About 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol

4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol (PubChem CID 58956238) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol
PubChem CID58956238
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol
SMILESCN(C)c1nc(-c2ccco2)c2ncn(Cc3ccc(O)cc3)c2n1
InChIInChI=1S/C18H17N5O2/c1-22(2)18-20-15(14-4-3-9-25-14)16-17(21-18)23(11-19-16)10-12-5-7-13(24)8-6-12/h3-9,11,24H,10H2,1-2H3
InChIKeyPEDGXTSEEZGBHR-UHFFFAOYSA-N
XLogP2.91
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol?
The IUPAC name of 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol (CID 58956238) is 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol is CN(C)c1nc(-c2ccco2)c2ncn(Cc3ccc(O)cc3)c2n1.
What is the InChIKey of 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol?
The InChIKey is PEDGXTSEEZGBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-22(2)18-20-15(14-4-3-9-25-14)16-17(21-18)23(11-19-16)10-12-5-7-13(24)8-6-12/h3-9,11,24H,10H2,1-2H3.
What are the key properties of 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol?
4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol has a molecular weight of 335.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol is sourced from PubChem (CID 58956238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).