5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide

C14H16N6O2 — CID 142819822

IUPAC5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide
SMILESC#Cc1nc(N)c2ncn(C3CCC(C(=O)NCC)O3)c2n1
InChIInChI=1S/C14H16N6O2/c1-3-9-18-12(15)11-13(19-9)20(7-17-11)10-6-5-8(22-10)14(21)16-4-2/h1,7-8,10H,4-6H2,2H3,(H,16,21)(H2,15,18,19)
InChIKeyZYNKEIXJFNOLSF-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.20
Rot. Bonds3

About 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide

5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide (PubChem CID 142819822) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide
PubChem CID142819822
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide
SMILESC#Cc1nc(N)c2ncn(C3CCC(C(=O)NCC)O3)c2n1
InChIInChI=1S/C14H16N6O2/c1-3-9-18-12(15)11-13(19-9)20(7-17-11)10-6-5-8(22-10)14(21)16-4-2/h1,7-8,10H,4-6H2,2H3,(H,16,21)(H2,15,18,19)
InChIKeyZYNKEIXJFNOLSF-UHFFFAOYSA-N
XLogP0.20
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-5-[6-amino-2-[3-(4-carbamoylcyclohexyl)prop-1-ynyl]purin-9-yl]-N-ethyloxolane-2-carboxamide
CID 142232067
[4-[3-[6-amino-9-[5-(ethylcarbamoyl)oxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexyl]methyl acetate
CID 143134410
5-[6-(cyclohexylamino)-2-methylpurin-9-yl]-N-ethyloxolane-2-carboxamide
CID 142081090
(2S,3R,5R)-5-[6-amino-2-[3-(4-ethylcyclohexyl)prop-1-ynyl]purin-9-yl]-N-ethyl-3-hydroxyoxolane-2-carboxamide
CID 71151137
5-[6-amino-2-[3-(4-sulfanylcyclohexyl)prop-1-ynyl]purin-9-yl]-N-ethyl-4-hydroxyoxolane-2-carboxamide
CID 142971079
(2-oxoazetidin-3-yl)methyl 4-[2-[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)oxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate
CID 70990778
4-(6-amino-2-ethynylpurin-9-yl)cyclohexane-1-carboxylic acid
CID 134214774
(2S,3S,4R)-5-[6-amino-2-(3-piperidin-1-ylprop-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 46874560
5-(6-amino-2-prop-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 142971076
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
5-[6-amino-2-[2-[4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenyl]ethylamino]purin-9-yl]-N-ethyloxolane-2-carboxamide
CID 137384981
5-[6-amino-2-[3-[4-(pyrrolidine-1-carbonyl)cyclohexyl]prop-1-ynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 11627834

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide?
The IUPAC name of 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide (CID 142819822) is 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide.
What is the SMILES notation for 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide?
The canonical SMILES for 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide is C#Cc1nc(N)c2ncn(C3CCC(C(=O)NCC)O3)c2n1.
What is the InChIKey of 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide?
The InChIKey is ZYNKEIXJFNOLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-3-9-18-12(15)11-13(19-9)20(7-17-11)10-6-5-8(22-10)14(21)16-4-2/h1,7-8,10H,4-6H2,2H3,(H,16,21)(H2,15,18,19).
What are the key properties of 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide?
5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-ethynylpurin-9-yl)-N-ethyloxolane-2-carboxamide is sourced from PubChem (CID 142819822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).