9-[2-(1H-indol-3-yl)ethyl]purin-6-amine

C15H14N6 — CID 91300880

IUPAC9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H14N6/c16-14-13-15(19-8-18-14)21(9-20-13)6-5-10-7-17-12-4-2-1-3-11(10)12/h1-4,7-9,17H,5-6H2,(H2,16,18,19)
InChIKeyJPVBDZRYFMSZHW-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.13
Rot. Bonds3

About 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine

9-[2-(1H-indol-3-yl)ethyl]purin-6-amine (PubChem CID 91300880) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
PubChem CID91300880
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H14N6/c16-14-13-15(19-8-18-14)21(9-20-13)6-5-10-7-17-12-4-2-1-3-11(10)12/h1-4,7-9,17H,5-6H2,(H2,16,18,19)
InChIKeyJPVBDZRYFMSZHW-UHFFFAOYSA-N
XLogP2.13
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(1H-indol-3-yl)butylsulfanylmethyl]oxolane-3,4-diol
CID 118725233
[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[2-(1H-indol-3-yl)ethyl]phosphonamidic acid
CID 11605556
2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one
CID 90134384
9-(6-anilinohexyl)purin-6-amine
CID 67346454
9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
CID 66424327
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone
CID 42604008
1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
CID 114650911

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine (CID 91300880) is 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine is Nc1ncnc2c1ncn2CCc1c[nH]c2ccccc12.
What is the InChIKey of 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine?
The InChIKey is JPVBDZRYFMSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c16-14-13-15(19-8-18-14)21(9-20-13)6-5-10-7-17-12-4-2-1-3-11(10)12/h1-4,7-9,17H,5-6H2,(H2,16,18,19).
What are the key properties of 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine?
9-[2-(1H-indol-3-yl)ethyl]purin-6-amine has a molecular weight of 278.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1H-indol-3-yl)ethyl]purin-6-amine is sourced from PubChem (CID 91300880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).