9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine

C17H19N5 — CID 163348579

IUPAC9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
SMILESCCn1cnc2c(NC3CCCc4ccccc43)ncnc21
InChIInChI=1S/C17H19N5/c1-2-22-11-20-15-16(18-10-19-17(15)22)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10-11,14H,2,5,7,9H2,1H3,(H,18,19,21)
InChIKeyGGDGIPAYDMKFOS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.34
Rot. Bonds3

About 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine

9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine (PubChem CID 163348579) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
PubChem CID163348579
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
SMILESCCn1cnc2c(NC3CCCc4ccccc43)ncnc21
InChIInChI=1S/C17H19N5/c1-2-22-11-20-15-16(18-10-19-17(15)22)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10-11,14H,2,5,7,9H2,1H3,(H,18,19,21)
InChIKeyGGDGIPAYDMKFOS-UHFFFAOYSA-N
XLogP3.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S)-1-[(9-butylpurin-6-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102438627
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477727
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 129447691
(2S,3S,4R,5R)-2-[hydroxy(phenylmethoxy)methyl]-5-[6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)purin-9-yl]oxolane-3,4-diol
CID 70402133
(2R,3S,4S,5R)-2-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-5-methyloxolane-3,4-diol
CID 123314267
(2R,3R,4S,5R)-2-[6-(2,3-dihydro-1H-inden-1-ylamino)purin-9-yl]-5-methyloxolane-3,4-diol
CID 70461194
[(2R,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 173050454
9-benzyl-N-cyclopropylpurin-6-amine
CID 14022446
7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 78021068
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine?
The IUPAC name of 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine (CID 163348579) is 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine.
What is the SMILES notation for 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine?
The canonical SMILES for 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine is CCn1cnc2c(NC3CCCc4ccccc43)ncnc21.
What is the InChIKey of 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine?
The InChIKey is GGDGIPAYDMKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-22-11-20-15-16(18-10-19-17(15)22)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10-11,14H,2,5,7,9H2,1H3,(H,18,19,21).
What are the key properties of 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine?
9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine has a molecular weight of 293.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine is sourced from PubChem (CID 163348579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).