9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one

C10H11FN4O4 — CID 141446003

IUPAC9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one
SMILESCc1nc2c(nc(F)n2C2OCC(O)C2O)c(=O)[nH]1
InChIInChI=1S/C10H11FN4O4/c1-3-12-7-5(8(18)13-3)14-10(11)15(7)9-6(17)4(16)2-19-9/h4,6,9,16-17H,2H2,1H3,(H,12,13,18)
InChIKeyGQXVCJDRWGBLET-UHFFFAOYSA-N
MW270.22 g/mol
LogP-1.18
Rot. Bonds1

About 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one

9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one (PubChem CID 141446003) has the molecular formula C10H11FN4O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one.

Molecular Properties

Compound Name9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one
PubChem CID141446003
Molecular FormulaC10H11FN4O4
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one
SMILESCc1nc2c(nc(F)n2C2OCC(O)C2O)c(=O)[nH]1
InChIInChI=1S/C10H11FN4O4/c1-3-12-7-5(8(18)13-3)14-10(11)15(7)9-6(17)4(16)2-19-9/h4,6,9,16-17H,2H2,1H3,(H,12,13,18)
InChIKeyGQXVCJDRWGBLET-UHFFFAOYSA-N
XLogP-1.18
TPSA113.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-bromo-9-(3,4-dihydroxyoxolan-2-yl)-2-methyl-1H-purin-6-one
CID 141446008
6-fluoro-5-methyl-3-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-pyrimidine-2,4-dione
CID 140532598
9-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,8-dimethyl-1H-purin-6-one
CID 137213287
9-[(2R,3R,4S,5R)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3,4-dihydroxyoxolan-2-yl]-8-iodo-2-methyl-1H-purin-6-one
CID 158541198
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
9-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propyl-1H-purin-6-one
CID 137213293
9-[(2R,3R,4S,5R)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3,4-dihydroxyoxolan-2-yl]-8-ethyl-2-methyl-1H-purin-6-one
CID 159498039
3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 101378852
8-butyl-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;8-chloro-9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,8-dimethyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-ethyl-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-8-fluoro-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methyl-8-propyl-1H-purin-6-one
CID 161357114
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923
3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177077743
9-[(6R,7S,7aS)-2,7-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-(4-fluorophenyl)-1H-purin-6-one
CID 174095063

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one?
The IUPAC name of 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one (CID 141446003) is 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one.
What is the SMILES notation for 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one?
The canonical SMILES for 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one is Cc1nc2c(nc(F)n2C2OCC(O)C2O)c(=O)[nH]1.
What is the InChIKey of 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one?
The InChIKey is GQXVCJDRWGBLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O4/c1-3-12-7-5(8(18)13-3)14-10(11)15(7)9-6(17)4(16)2-19-9/h4,6,9,16-17H,2H2,1H3,(H,12,13,18).
What are the key properties of 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one?
9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one has a molecular weight of 270.22 g/mol, XLogP of -1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dihydroxyoxolan-2-yl)-8-fluoro-2-methyl-1H-purin-6-one is sourced from PubChem (CID 141446003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).