2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one

C15H22FN5O3 — CID 135550556

IUPAC2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one
SMILESCC1(CO)OC(C)(n2cnc3c(=O)[nH]c(N)nc32)C(C)(C)C1(C)F
InChIInChI=1S/C15H22FN5O3/c1-12(2)14(4,16)13(3,6-22)24-15(12,5)21-7-18-8-9(21)19-11(17)20-10(8)23/h7,22H,6H2,1-5H3,(H3,17,19,20,23)
InChIKeyJIXZLUQJUVSELA-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.91
Rot. Bonds2

About 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one

2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one (PubChem CID 135550556) has the molecular formula C15H22FN5O3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one
PubChem CID135550556
Molecular FormulaC15H22FN5O3
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one
SMILESCC1(CO)OC(C)(n2cnc3c(=O)[nH]c(N)nc32)C(C)(C)C1(C)F
InChIInChI=1S/C15H22FN5O3/c1-12(2)14(4,16)13(3,6-22)24-15(12,5)21-7-18-8-9(21)19-11(17)20-10(8)23/h7,22H,6H2,1-5H3,(H3,17,19,20,23)
InChIKeyJIXZLUQJUVSELA-UHFFFAOYSA-N
XLogP0.91
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one with MolForge

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Launch Full Analysis

Related Compounds

[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-2,3,4,5-tetramethyloxolan-2-yl]methyl phosphono hydrogen phosphate
CID 166863456
2-amino-9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-5-methoxy-3,3-dimethyloxolan-2-yl]-1H-purin-6-one
CID 137282437
2-amino-9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-methylsilyloxolan-2-yl]-1H-purin-6-one
CID 151969304
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-[(2R,3R,4R,5R)-3-fluoro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137230343
2-amino-9-[3,5-difluoro-5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137062315
2-amino-9-[5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137058076
2-amino-9-[1-(2-hydroxyethyl)cyclopentyl]-1H-purin-6-one
CID 139640968
2-amino-9-[(1R,2S,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]-1H-purin-6-one
CID 135445960
2-amino-9-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)-3-methylthietan-2-yl]-1H-purin-6-one
CID 135399651
2-amino-9-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]-1H-purin-6-one
CID 135468005
2-amino-9-[(1R,3R,4R,5S)-4,5,6-trihydroxy-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-3-yl]-1H-purin-6-one
CID 163986255

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one (CID 135550556) is 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one is CC1(CO)OC(C)(n2cnc3c(=O)[nH]c(N)nc32)C(C)(C)C1(C)F.
What is the InChIKey of 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one?
The InChIKey is JIXZLUQJUVSELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O3/c1-12(2)14(4,16)13(3,6-22)24-15(12,5)21-7-18-8-9(21)19-11(17)20-10(8)23/h7,22H,6H2,1-5H3,(H3,17,19,20,23).
What are the key properties of 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one?
2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one has a molecular weight of 339.37 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 135550556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).