9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine

C21H19N7 — CID 129244413

IUPAC9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
SMILESNCc1cc2cc(-c3ccccc3)cc(Cn3cnc4c(N)ncnc43)c2[nH]1
InChIInChI=1S/C21H19N7/c22-9-17-8-15-6-14(13-4-2-1-3-5-13)7-16(18(15)27-17)10-28-12-26-19-20(23)24-11-25-21(19)28/h1-8,11-12,27H,9-10,22H2,(H2,23,24,25)
InChIKeyOEJCCKGUKJDFAE-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.06
Rot. Bonds4

About 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine

9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine (PubChem CID 129244413) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
PubChem CID129244413
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
SMILESNCc1cc2cc(-c3ccccc3)cc(Cn3cnc4c(N)ncnc43)c2[nH]1
InChIInChI=1S/C21H19N7/c22-9-17-8-15-6-14(13-4-2-1-3-5-13)7-16(18(15)27-17)10-28-12-26-19-20(23)24-11-25-21(19)28/h1-8,11-12,27H,9-10,22H2,(H2,23,24,25)
InChIKeyOEJCCKGUKJDFAE-UHFFFAOYSA-N
XLogP3.06
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244621
9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244314
9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244582
9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine
CID 129244210
4-[2-(aminomethyl)-7-[(6-aminopurin-9-yl)methyl]-1H-indol-4-yl]benzonitrile
CID 129244366
N-[[7-[(6-aminopurin-9-yl)methyl]-5-(3-methoxyphenyl)-1H-indol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129244323
N-[[7-[(6-aminopurin-9-yl)methyl]-5-[3-(dimethylcarbamoyl)phenyl]-1H-indol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129244364
9-[[5-chloro-2-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-1H-indol-7-yl]methyl]purin-6-amine
CID 129244367
9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
CID 67200292
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-fluorobenzamide
CID 129243958
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]butanamide
CID 129244077
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-methylbenzamide
CID 129244563

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine (CID 129244413) is 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine is NCc1cc2cc(-c3ccccc3)cc(Cn3cnc4c(N)ncnc43)c2[nH]1.
What is the InChIKey of 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine?
The InChIKey is OEJCCKGUKJDFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c22-9-17-8-15-6-14(13-4-2-1-3-5-13)7-16(18(15)27-17)10-28-12-26-19-20(23)24-11-25-21(19)28/h1-8,11-12,27H,9-10,22H2,(H2,23,24,25).
What are the key properties of 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine?
9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine has a molecular weight of 369.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine is sourced from PubChem (CID 129244413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).