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

C17H17N7 — CID 129244314

IUPAC9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine
SMILESC=Cc1cc(Cn2cnc3c(N)ncnc32)c2[nH]c(CN)cc2c1
InChIInChI=1S/C17H17N7/c1-2-10-3-11-5-13(6-18)23-14(11)12(4-10)7-24-9-22-15-16(19)20-8-21-17(15)24/h2-5,8-9,23H,1,6-7,18H2,(H2,19,20,21)
InChIKeyPHSGDRXBVGUHJJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.04
Rot. Bonds4

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

9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine (PubChem CID 129244314) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine
PubChem CID129244314
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine
SMILESC=Cc1cc(Cn2cnc3c(N)ncnc32)c2[nH]c(CN)cc2c1
InChIInChI=1S/C17H17N7/c1-2-10-3-11-5-13(6-18)23-14(11)12(4-10)7-24-9-22-15-16(19)20-8-21-17(15)24/h2-5,8-9,23H,1,6-7,18H2,(H2,19,20,21)
InChIKeyPHSGDRXBVGUHJJ-UHFFFAOYSA-N
XLogP2.04
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244413
9-[[2-(aminomethyl)-5-pyrimidin-5-yl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244621
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
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]butanamide
CID 129244077
4-[2-(aminomethyl)-7-[(6-aminopurin-9-yl)methyl]-1H-indol-4-yl]benzonitrile
CID 129244366
1-[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]ethanone
CID 129244342
9-[[5-chloro-2-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-1H-indol-7-yl]methyl]purin-6-amine
CID 129244367
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-fluorobenzamide
CID 129243958
tert-butyl 2-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methylamino]acetate
CID 140791648
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-methylbenzamide
CID 129244563
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-cyanobenzamide
CID 129244569

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine (CID 129244314) is 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine is C=Cc1cc(Cn2cnc3c(N)ncnc32)c2[nH]c(CN)cc2c1.
What is the InChIKey of 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine?
The InChIKey is PHSGDRXBVGUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-2-10-3-11-5-13(6-18)23-14(11)12(4-10)7-24-9-22-15-16(19)20-8-21-17(15)24/h2-5,8-9,23H,1,6-7,18H2,(H2,19,20,21).
What are the key properties of 9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine?
9-[[2-(aminomethyl)-5-ethenyl-1H-indol-7-yl]methyl]purin-6-amine has a molecular weight of 319.37 g/mol, XLogP of 2.04, 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-ethenyl-1H-indol-7-yl]methyl]purin-6-amine is sourced from PubChem (CID 129244314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).