2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine

C11H13ClFN5O2 — CID 144762805

IUPAC2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
SMILESCOC[C@@H]1C[C@H](F)C(n2cnc3c(N)nc(Cl)nc32)O1
InChIInChI=1S/C11H13ClFN5O2/c1-19-3-5-2-6(13)10(20-5)18-4-15-7-8(14)16-11(12)17-9(7)18/h4-6,10H,2-3H2,1H3,(H2,14,16,17)/t5-,6-,10?/m0/s1
InChIKeyMRFBSYIFGJPNPB-XBGLIEATSA-N
MW301.71 g/mol
LogP1.33
Rot. Bonds3

About 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine

2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine (PubChem CID 144762805) has the molecular formula C11H13ClFN5O2 and a molecular weight of 301.71 g/mol. Its IUPAC name is 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
PubChem CID144762805
Molecular FormulaC11H13ClFN5O2
Molecular Weight301.71 g/mol
Exact Mass301.07
IUPAC Name2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
SMILESCOC[C@@H]1C[C@H](F)C(n2cnc3c(N)nc(Cl)nc32)O1
InChIInChI=1S/C11H13ClFN5O2/c1-19-3-5-2-6(13)10(20-5)18-4-15-7-8(14)16-11(12)17-9(7)18/h4-6,10H,2-3H2,1H3,(H2,14,16,17)/t5-,6-,10?/m0/s1
InChIKeyMRFBSYIFGJPNPB-XBGLIEATSA-N
XLogP1.33
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
dimethyl 2-[[(2S,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy]butanedioate
CID 134336141
2-[[(2S,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy]-2-(4-hydroxybutyl)propanedioic acid
CID 134336051
[5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 123978102
S-[2-[[(2S,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy-methoxyphosphanyl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate
CID 118550456
2-[[(2S,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy]-2-[(4-chloro-2,6-difluorophenyl)methyl]propanedioic acid
CID 135183037
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
2-[[5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy]-2-[(3-fluorophenyl)methyl]propanedioic acid
CID 134336159
2-[[5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy]-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanedioic acid
CID 142302885
diethyl 2-[[(2S,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy]-2-[[4-(cyanomethoxy)phenyl]methyl]propanedioate
CID 134344715
2-[[5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy]-2-[(1-benzylpyrazol-4-yl)methyl]propanedioic acid
CID 142302900
(2R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(cyclopropyloxymethyl)oxolane-3,4-diol
CID 87823081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine (CID 144762805) is 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine is COC[C@@H]1C[C@H](F)C(n2cnc3c(N)nc(Cl)nc32)O1.
What is the InChIKey of 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is MRFBSYIFGJPNPB-XBGLIEATSA-N. The full InChI is InChI=1S/C11H13ClFN5O2/c1-19-3-5-2-6(13)10(20-5)18-4-15-7-8(14)16-11(12)17-9(7)18/h4-6,10H,2-3H2,1H3,(H2,14,16,17)/t5-,6-,10?/m0/s1.
What are the key properties of 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine?
2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 301.71 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 144762805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).