(2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C11H16FN5O3 — CID 3006951

IUPAC(2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCC1=NC(N)=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C11H16FN5O3/c1-4-7-9(16-11(13)15-4)17(3-14-7)10-6(12)8(19)5(2-18)20-10/h3,5-10,18-19H,2H2,1H3,(H2,13,16)/t5-,6-,7?,8-,9?,10-/m1/s1
InChIKeyFYGVDNNCTLSOBH-JLERLLHQSA-N
MW285.28 g/mol
LogP-1.77
Rot. Bonds2

About (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 3006951) has the molecular formula C11H16FN5O3 and a molecular weight of 285.28 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID3006951
Molecular FormulaC11H16FN5O3
Molecular Weight285.28 g/mol
Exact Mass285.12
IUPAC Name(2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCC1=NC(N)=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C11H16FN5O3/c1-4-7-9(16-11(13)15-4)17(3-14-7)10-6(12)8(19)5(2-18)20-10/h3,5-10,18-19H,2H2,1H3,(H2,13,16)/t5-,6-,7?,8-,9?,10-/m1/s1
InChIKeyFYGVDNNCTLSOBH-JLERLLHQSA-N
XLogP-1.77
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 3006944
(2R,3R,4S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11254204
(2R,3R,4S,5R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 137482466
(2R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 59503907
(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 14853623
(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 10379075
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 66944209
(2R,3R,4S,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 134165870
6-amino-3-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-4,5-dihydropyrimidin-2-one
CID 122130544
5-(2-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 19934353
5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 74961463
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 3006951) is (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is CC1=NC(N)=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is FYGVDNNCTLSOBH-JLERLLHQSA-N. The full InChI is InChI=1S/C11H16FN5O3/c1-4-7-9(16-11(13)15-4)17(3-14-7)10-6(12)8(19)5(2-18)20-10/h3,5-10,18-19H,2H2,1H3,(H2,13,16)/t5-,6-,7?,8-,9?,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 285.28 g/mol, XLogP of -1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(2-amino-6-methyl-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 3006951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).