8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine

C23H26N6O3 — CID 117092444

IUPAC8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
SMILESCOc1cc(Nc2ncnc3c2nc(Nc2ccccc2)n3C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N6O3/c1-14(2)29-22-19(28-23(29)27-15-9-7-6-8-10-15)21(24-13-25-22)26-16-11-17(30-3)20(32-5)18(12-16)31-4/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyINECVKUQWSTARD-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.92
Rot. Bonds8

About 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine

8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine (PubChem CID 117092444) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine.

Molecular Properties

Compound Name8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
PubChem CID117092444
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
SMILESCOc1cc(Nc2ncnc3c2nc(Nc2ccccc2)n3C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N6O3/c1-14(2)29-22-19(28-23(29)27-15-9-7-6-8-10-15)21(24-13-25-22)26-16-11-17(30-3)20(32-5)18(12-16)31-4/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyINECVKUQWSTARD-UHFFFAOYSA-N
XLogP4.92
TPSA95.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-N-phenyl-9-propan-2-yl-8-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117093754
8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117092748
N,8-diphenyl-9-propan-2-ylpurin-6-amine
CID 117092948
6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117091762
8-N-phenyl-9-propan-2-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-6,8-diamine
CID 117093011
9-propan-2-yl-2-N,6-N-bis(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117082482
N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 31054972
9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine
CID 117089787
N-phenyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117082889
6-N-benzyl-9-propan-2-yl-8-N-pyrimidin-2-ylpurine-6,8-diamine
CID 117078939
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125

Frequently Asked Questions

What is the IUPAC name of 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine?
The IUPAC name of 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine (CID 117092444) is 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine.
What is the SMILES notation for 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine?
The canonical SMILES for 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine is COc1cc(Nc2ncnc3c2nc(Nc2ccccc2)n3C(C)C)cc(OC)c1OC.
What is the InChIKey of 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine?
The InChIKey is INECVKUQWSTARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14(2)29-22-19(28-23(29)27-15-9-7-6-8-10-15)21(24-13-25-22)26-16-11-17(30-3)20(32-5)18(12-16)31-4/h6-14H,1-5H3,(H,27,28)(H,24,25,26).
What are the key properties of 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine?
8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine has a molecular weight of 434.50 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine is sourced from PubChem (CID 117092444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).