9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine

C17H19N7 — CID 129244582

IUPAC9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine
SMILESCCc1ccc(Cn2cnc3c(N)ncnc32)c2[nH]c(CN)cc12
InChIInChI=1S/C17H19N7/c1-2-10-3-4-11(14-13(10)5-12(6-18)23-14)7-24-9-22-15-16(19)20-8-21-17(15)24/h3-5,8-9,23H,2,6-7,18H2,1H3,(H2,19,20,21)
InChIKeyCLVOELYUOACIOB-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.96
Rot. Bonds4

About 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine

9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine (PubChem CID 129244582) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine
PubChem CID129244582
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine
SMILESCCc1ccc(Cn2cnc3c(N)ncnc32)c2[nH]c(CN)cc12
InChIInChI=1S/C17H19N7/c1-2-10-3-4-11(14-13(10)5-12(6-18)23-14)7-24-9-22-15-16(19)20-8-21-17(15)24/h3-5,8-9,23H,2,6-7,18H2,1H3,(H2,19,20,21)
InChIKeyCLVOELYUOACIOB-UHFFFAOYSA-N
XLogP1.96
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244413
9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244314
9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244621
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
CID 102663266
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]butanamide
CID 129244077
9-[[2-methoxy-4-(2H-triazol-4-yl)phenyl]methyl]purin-6-amine
CID 167440311
4-[(6-aminopurin-9-yl)methyl]-3-chlorobenzamide
CID 102669744
1-[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]ethanone
CID 129244342
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
3-[(6-aminopurin-9-yl)methyl]-4-methoxybenzaldehyde
CID 62024233

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine (CID 129244582) is 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine is CCc1ccc(Cn2cnc3c(N)ncnc32)c2[nH]c(CN)cc12.
What is the InChIKey of 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine?
The InChIKey is CLVOELYUOACIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-2-10-3-4-11(14-13(10)5-12(6-18)23-14)7-24-9-22-15-16(19)20-8-21-17(15)24/h3-5,8-9,23H,2,6-7,18H2,1H3,(H2,19,20,21).
What are the key properties of 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine?
9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine has a molecular weight of 321.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine is sourced from PubChem (CID 129244582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).