2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine

C20H20N4O3 — CID 71171768

IUPAC2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
SMILESCCOCc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1
InChIInChI=1S/C20H20N4O3/c1-3-26-12-17-22-18(16-5-4-10-27-16)19-20(23-17)24(13-21-19)11-14-6-8-15(25-2)9-7-14/h4-10,13H,3,11-12H2,1-2H3
InChIKeyXONCDTIJBXFMKI-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.68
Rot. Bonds7

About 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine

2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine (PubChem CID 71171768) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
PubChem CID71171768
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine
SMILESCCOCc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1
InChIInChI=1S/C20H20N4O3/c1-3-26-12-17-22-18(16-5-4-10-27-16)19-20(23-17)24(13-21-19)11-14-6-8-15(25-2)9-7-14/h4-10,13H,3,11-12H2,1-2H3
InChIKeyXONCDTIJBXFMKI-UHFFFAOYSA-N
XLogP3.68
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-2-amine
CID 59835049
4-[[6-(furan-2-yl)purin-9-yl]methyl]-N,N-dimethylaniline
CID 5270851
2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 59835019
9-[(1-benzylimidazol-2-yl)methyl]-6-(furan-2-yl)purin-2-amine
CID 58758787
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
3-[[2-amino-6-(furan-2-yl)purin-9-yl]methyl]benzonitrile
CID 59835103
9-[(3-chlorophenyl)methyl]-6-(furan-2-yl)purine
CID 5270740
11-benzyl-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523881
5-[2-(4-methoxyphenyl)ethyl]-11-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523926
6-(furan-2-yl)-9-(pyridin-2-ylmethyl)purin-2-amine
CID 59835056
7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine
CID 53243110
9-[(E)-but-2-enyl]-6-(furan-2-yl)purin-2-amine
CID 59834966

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
The IUPAC name of 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine (CID 71171768) is 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine.
What is the SMILES notation for 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
The canonical SMILES for 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine is CCOCc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.
What is the InChIKey of 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
The InChIKey is XONCDTIJBXFMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-26-12-17-22-18(16-5-4-10-27-16)19-20(23-17)24(13-21-19)11-14-6-8-15(25-2)9-7-14/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine?
2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine has a molecular weight of 364.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine is sourced from PubChem (CID 71171768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).