8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine

C23H24N4O3 — CID 25138818

IUPAC8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine
SMILESCOc1ccc(-c2ncnc3c2nc(-c2ccc(OC)c(OC)c2)n3C(C)C)cc1
InChIInChI=1S/C23H24N4O3/c1-14(2)27-22(16-8-11-18(29-4)19(12-16)30-5)26-21-20(24-13-25-23(21)27)15-6-9-17(28-3)10-7-15/h6-14H,1-5H3
InChIKeyLMDSVJRHHRWVJT-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.77
Rot. Bonds6

About 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine

8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine (PubChem CID 25138818) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine
PubChem CID25138818
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine
SMILESCOc1ccc(-c2ncnc3c2nc(-c2ccc(OC)c(OC)c2)n3C(C)C)cc1
InChIInChI=1S/C23H24N4O3/c1-14(2)27-22(16-8-11-18(29-4)19(12-16)30-5)26-21-20(24-13-25-23(21)27)15-6-9-17(28-3)10-7-15/h6-14H,1-5H3
InChIKeyLMDSVJRHHRWVJT-UHFFFAOYSA-N
XLogP4.77
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-dimethoxyphenyl)-8-[6-(3,4-dimethoxyphenyl)-9-propan-2-ylpurin-8-yl]-9-propan-2-ylpurine
CID 25140697
6-(3-fluoro-4-methoxyphenyl)-2,8-bis(4-methoxyphenyl)-9-propan-2-ylpurine
CID 25140273
8,9-bis(3,4-dimethoxyphenyl)purin-6-amine
CID 25140418
3-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,2,4-triazole
CID 113301041
9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine
CID 25138816
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole
CID 54388388
4,5-bis(4-methoxyphenyl)-1-propan-2-ylimidazole
CID 14278147
9-(1-bromoethyl)-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine
CID 68521023
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
ethyl 2-[6-(4-methoxyphenyl)purin-9-yl]acetate
CID 134850644

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine (CID 25138818) is 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine is COc1ccc(-c2ncnc3c2nc(-c2ccc(OC)c(OC)c2)n3C(C)C)cc1.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine?
The InChIKey is LMDSVJRHHRWVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(2)27-22(16-8-11-18(29-4)19(12-16)30-5)26-21-20(24-13-25-23(21)27)15-6-9-17(28-3)10-7-15/h6-14H,1-5H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine?
8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine has a molecular weight of 404.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine is sourced from PubChem (CID 25138818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).