9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine

C19H23N5OS — CID 169004389

IUPAC9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine
SMILESCCCCC#Cc1nc(N)c2nc(-c3cccs3)n(CCOCC)c2n1
InChIInChI=1S/C19H23N5OS/c1-3-5-6-7-10-15-21-17(20)16-19(22-15)24(11-12-25-4-2)18(23-16)14-9-8-13-26-14/h8-9,13H,3-6,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyIOZQMLYANWSOKA-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.72
Rot. Bonds7

About 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine

9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine (PubChem CID 169004389) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine.

Molecular Properties

Compound Name9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine
PubChem CID169004389
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine
SMILESCCCCC#Cc1nc(N)c2nc(-c3cccs3)n(CCOCC)c2n1
InChIInChI=1S/C19H23N5OS/c1-3-5-6-7-10-15-21-17(20)16-19(22-15)24(11-12-25-4-2)18(23-16)14-9-8-13-26-14/h8-9,13H,3-6,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyIOZQMLYANWSOKA-UHFFFAOYSA-N
XLogP3.72
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine
CID 169004672
(2R,3R,4R)-2-(6-chloro-2-hex-1-ynyl-8-thiophen-2-ylpurin-9-yl)oxolane-3,4-diol
CID 174158598
[(3R,4R,5R)-4-acetyloxy-5-(6-chloro-2-hex-1-ynyl-8-thiophen-2-ylpurin-9-yl)oxolan-3-yl] acetate
CID 169004432
(2R,3R,4S)-2-(6-amino-2-hex-1-ynyl-8-pyrimidin-2-ylpurin-9-yl)thiolane-3,4-diol
CID 169004616
[(3R,4R,5R)-4-acetyloxy-5-(6-chloro-2-dec-1-ynyl-8-thiophen-2-ylpurin-9-yl)oxolan-3-yl] acetate
CID 169004573
2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143979
3-butyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline
CID 139199572
4-[6-amino-8-(furan-2-yl)-9-methylpurin-2-yl]but-3-yn-1-ol
CID 20593947
2-amino-9-(2-ethylhexyl)-8-thiophen-2-yl-1H-purin-6-one
CID 137123949
2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene
CID 142145797
5-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]pent-4-ynoic acid
CID 22133893
2-[[4-(3-ethoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075410

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine?
The IUPAC name of 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine (CID 169004389) is 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine.
What is the SMILES notation for 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine?
The canonical SMILES for 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine is CCCCC#Cc1nc(N)c2nc(-c3cccs3)n(CCOCC)c2n1.
What is the InChIKey of 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine?
The InChIKey is IOZQMLYANWSOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-5-6-7-10-15-21-17(20)16-19(22-15)24(11-12-25-4-2)18(23-16)14-9-8-13-26-14/h8-9,13H,3-6,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine?
9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine has a molecular weight of 369.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine is sourced from PubChem (CID 169004389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).