8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine

C22H23N5O3S — CID 24895932

IUPAC8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine
SMILESCOc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCc2ccccc2OC)c1
InChIInChI=1S/C22H23N5O3S/c1-28-15-8-9-17(30-3)18(12-15)31-22-26-19-20(23)24-13-25-21(19)27(22)11-10-14-6-4-5-7-16(14)29-2/h4-9,12-13H,10-11H2,1-3H3,(H2,23,24,25)
InChIKeyQVTCEGHDFJOQHM-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.83
Rot. Bonds8

About 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine

8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine (PubChem CID 24895932) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine.

Molecular Properties

Compound Name8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine
PubChem CID24895932
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine
SMILESCOc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCc2ccccc2OC)c1
InChIInChI=1S/C22H23N5O3S/c1-28-15-8-9-17(30-3)18(12-15)31-22-26-19-20(23)24-13-25-21(19)27(22)11-10-14-6-4-5-7-16(14)29-2/h4-9,12-13H,10-11H2,1-3H3,(H2,23,24,25)
InChIKeyQVTCEGHDFJOQHM-UHFFFAOYSA-N
XLogP3.83
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine with MolForge

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Related Compounds

9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine
CID 10183346
8-(2-Iodo-5-methoxy-phenylsulfanyl)-9-(4-methyl-pent-3-enyl)-9H-purin-6-ylamine
CID 10277546
8-(2-Iodo-5-methoxy-phenylsulfanyl)-9-(2-isobutylamino-ethyl)-9H-purin-6-ylamine
CID 11504234
9-{2-[(2,2-dimethylpropyl)amino]ethyl}-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9H-purin-6-amine
CID 11512802
9-(3-tert-Butylamino-propyl)-8-(2-iodo-5-methoxy-phenylsulfanyl)-9H-purin-6-ylamine
CID 11519125
8-(2-Iodo-5-methoxy-phenylsulfanyl)-9-(3-isopropylamino-propyl)-9H-purin-6-ylamine
CID 11548875
9-[3-(butan-2-ylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9H-purin-6-amine
CID 11556271
8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-[3-(pentan-3-ylamino)propyl]-9H-purin-6-amine
CID 11613386
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine
CID 448969
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine
CID 448974
9-butyl-8-[(2,5-dimethoxyphenyl)sulfanyl]-9H-purin-6-amine
CID 11574041

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine?
The IUPAC name of 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine (CID 24895932) is 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine.
What is the SMILES notation for 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine?
The canonical SMILES for 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine is COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCc2ccccc2OC)c1.
What is the InChIKey of 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine?
The InChIKey is QVTCEGHDFJOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-28-15-8-9-17(30-3)18(12-15)31-22-26-19-20(23)24-13-25-21(19)27(22)11-10-14-6-4-5-7-16(14)29-2/h4-9,12-13H,10-11H2,1-3H3,(H2,23,24,25).
What are the key properties of 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine?
8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine has a molecular weight of 437.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2-methoxyphenyl)ethyl]purin-6-amine is sourced from PubChem (CID 24895932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).