8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine

C18H21N5O2 — CID 169004672

IUPAC8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine
SMILESCCCCC#Cc1nc(N)c2nc(-c3ccco3)n(CCOC)c2n1
InChIInChI=1S/C18H21N5O2/c1-3-4-5-6-9-14-20-16(19)15-18(21-14)23(10-12-24-2)17(22-15)13-8-7-11-25-13/h7-8,11H,3-5,10,12H2,1-2H3,(H2,19,20,21)
InChIKeyXNYRJMXBZNPDFE-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.86
Rot. Bonds6

About 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine

8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine (PubChem CID 169004672) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine.

Molecular Properties

Compound Name8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine
PubChem CID169004672
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine
SMILESCCCCC#Cc1nc(N)c2nc(-c3ccco3)n(CCOC)c2n1
InChIInChI=1S/C18H21N5O2/c1-3-4-5-6-9-14-20-16(19)15-18(21-14)23(10-12-24-2)17(22-15)13-8-7-11-25-13/h7-8,11H,3-5,10,12H2,1-2H3,(H2,19,20,21)
InChIKeyXNYRJMXBZNPDFE-UHFFFAOYSA-N
XLogP2.86
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.86
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

3-[6-amino-8-(furan-2-yl)-2-hex-1-ynylpurin-9-yl]propane-1,2-diol
CID 169004419
9-(2-ethoxyethyl)-2-hex-1-ynyl-8-thiophen-2-ylpurin-6-amine
CID 169004389
4-[6-amino-8-(furan-2-yl)-9-methylpurin-2-yl]but-3-yn-1-ol
CID 20593947
2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine
CID 169004627
[(2R,3R)-2-[6-chloro-8-(furan-2-yl)-2-non-1-ynylpurin-9-yl]oxolan-3-yl] acetate
CID 169004571
8-(furan-2-yl)-2-(3-phenylpropoxy)-9-prop-2-enylpurin-6-amine
CID 18440494
(2R,3R,4S)-2-(6-amino-2-hex-1-ynyl-8-pyrimidin-2-ylpurin-9-yl)thiolane-3,4-diol
CID 169004616
8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine
CID 69336278
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
9-[(3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-hex-1-ynylpurin-6-amine
CID 14999730
2-[1-(4-methoxyphenyl)hept-2-ynyl]furan
CID 102450474
9-benzyl-2-butoxy-8-pyridin-2-ylpurin-6-amine
CID 138700991

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine?
The IUPAC name of 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine (CID 169004672) is 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine.
What is the SMILES notation for 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine?
The canonical SMILES for 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine is CCCCC#Cc1nc(N)c2nc(-c3ccco3)n(CCOC)c2n1.
What is the InChIKey of 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine?
The InChIKey is XNYRJMXBZNPDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-4-5-6-9-14-20-16(19)15-18(21-14)23(10-12-24-2)17(22-15)13-8-7-11-25-13/h7-8,11H,3-5,10,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine?
8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine is sourced from PubChem (CID 169004672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).