8,9-bis(3,4-dimethoxyphenyl)purin-6-amine

C21H21N5O4 — CID 25140418

IUPAC8,9-bis(3,4-dimethoxyphenyl)purin-6-amine
SMILESCOc1ccc(-c2nc3c(N)ncnc3n2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H21N5O4/c1-27-14-7-5-12(9-16(14)29-3)20-25-18-19(22)23-11-24-21(18)26(20)13-6-8-15(28-2)17(10-13)30-4/h5-11H,1-4H3,(H2,22,23,24)
InChIKeyYSFCYTOCWWOSJR-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.10
Rot. Bonds6

About 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine

8,9-bis(3,4-dimethoxyphenyl)purin-6-amine (PubChem CID 25140418) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine.

Molecular Properties

Compound Name8,9-bis(3,4-dimethoxyphenyl)purin-6-amine
PubChem CID25140418
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name8,9-bis(3,4-dimethoxyphenyl)purin-6-amine
SMILESCOc1ccc(-c2nc3c(N)ncnc3n2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H21N5O4/c1-27-14-7-5-12(9-16(14)29-3)20-25-18-19(22)23-11-24-21(18)26(20)13-6-8-15(28-2)17(10-13)30-4/h5-11H,1-4H3,(H2,22,23,24)
InChIKeyYSFCYTOCWWOSJR-UHFFFAOYSA-N
XLogP3.10
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

9-(3,4-dimethoxyphenyl)-N,N,8-tris(4-methoxyphenyl)purin-6-amine
CID 25138816
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
7-(4-fluoro-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 114840511
7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82859088
6-(3,4-dimethoxyphenyl)-8-[6-(3,4-dimethoxyphenyl)-9-propan-2-ylpurin-8-yl]-9-propan-2-ylpurine
CID 25140697
8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine
CID 25138818
4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one
CID 22597409
9-benzyl-8-(4-methoxyphenyl)purin-6-amine
CID 102024707
9-(3-chloro-4-methoxyphenyl)purin-6-amine
CID 171806311
2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-4-amine
CID 82067974
(2R)-3-[4-amino-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol
CID 24905334

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine?
The IUPAC name of 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine (CID 25140418) is 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine.
What is the SMILES notation for 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine?
The canonical SMILES for 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine is COc1ccc(-c2nc3c(N)ncnc3n2-c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine?
The InChIKey is YSFCYTOCWWOSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-27-14-7-5-12(9-16(14)29-3)20-25-18-19(22)23-11-24-21(18)26(20)13-6-8-15(28-2)17(10-13)30-4/h5-11H,1-4H3,(H2,22,23,24).
What are the key properties of 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine?
8,9-bis(3,4-dimethoxyphenyl)purin-6-amine has a molecular weight of 407.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(3,4-dimethoxyphenyl)purin-6-amine is sourced from PubChem (CID 25140418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).