2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one

C14H20FN5O2 — CID 156747449

IUPAC2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one
SMILESCCCC1OC(n2c(=O)n(CC)c3cnc(N)nc32)CC1F
InChIInChI=1S/C14H20FN5O2/c1-3-5-10-8(15)6-11(22-10)20-12-9(7-17-13(16)18-12)19(4-2)14(20)21/h7-8,10-11H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyFUTYTGIEPBMJBM-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one

2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one (PubChem CID 156747449) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one.

Molecular Properties

Compound Name2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one
PubChem CID156747449
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC Name2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one
SMILESCCCC1OC(n2c(=O)n(CC)c3cnc(N)nc32)CC1F
InChIInChI=1S/C14H20FN5O2/c1-3-5-10-8(15)6-11(22-10)20-12-9(7-17-13(16)18-12)19(4-2)14(20)21/h7-8,10-11H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyFUTYTGIEPBMJBM-UHFFFAOYSA-N
XLogP1.62
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3R,4S,5R)-4-acetyloxy-5-(2-amino-8-oxo-7-prop-2-ynylpurin-9-yl)-3-fluorooxolan-2-yl]methyl acetate
CID 153282955
2-[2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxopurin-7-yl]acetaldehyde
CID 152660755
[(2R,3R,4S,5R)-4-acetyloxy-5-[2-amino-8-oxo-7-(4,4,4-trifluorobutyl)purin-9-yl]-3-fluorooxolan-2-yl]methyl acetate
CID 153283024
[(2R,3S,4R,5R)-4-acetyloxy-5-[2-amino-7-(cyclopropylmethyl)-8-oxopurin-9-yl]-2-ethyloxolan-3-yl] acetate
CID 162078138
[(2R,3S,4R,5R)-5-[2-amino-7-(cyclopropylmethyl)-8-oxopurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 175100174
methyl 2-[2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxopurin-7-yl]acetate
CID 151949815
2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one
CID 153283050
[(2R,3S,4R,5R)-5-acetyloxy-2-(2-amino-8-oxo-7-prop-2-ynylpurin-9-yl)-4-fluorooxolan-3-yl] acetate
CID 175104038
[(2R,3R,4S,5R)-4-acetyloxy-5-[2-amino-7-(methylsulfanylmethyl)-8-oxopurin-9-yl]-3-fluorooxolan-2-yl] propanoate
CID 175100528
[(2R,3R,4S,5R)-4-acetyloxy-5-[2-amino-7-[(4-methoxyphenyl)methyl]-8-oxopurin-9-yl]-3-fluorooxolan-2-yl]methyl acetate
CID 153283030
[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
CID 67703963
2-amino-7-benzyl-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-one
CID 150393970

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one?
The IUPAC name of 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one (CID 156747449) is 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one.
What is the SMILES notation for 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one?
The canonical SMILES for 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one is CCCC1OC(n2c(=O)n(CC)c3cnc(N)nc32)CC1F.
What is the InChIKey of 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one?
The InChIKey is FUTYTGIEPBMJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-3-5-10-8(15)6-11(22-10)20-12-9(7-17-13(16)18-12)19(4-2)14(20)21/h7-8,10-11H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one?
2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one has a molecular weight of 309.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-ethyl-9-(4-fluoro-5-propyloxolan-2-yl)purin-8-one is sourced from PubChem (CID 156747449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).