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

C11H13ClFN5O2 — CID 157481139

IUPAC6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
SMILESCOC[C@@H]1C[C@H](F)[C@H](n2cnc3c(Cl)nc(N)nc32)O1
InChIInChI=1S/C11H13ClFN5O2/c1-19-3-5-2-6(13)10(20-5)18-4-15-7-8(12)16-11(14)17-9(7)18/h4-6,10H,2-3H2,1H3,(H2,14,16,17)/t5-,6-,10+/m0/s1
InChIKeyBWEBPGQZMCPYAK-JFWOZONXSA-N
MW301.71 g/mol
LogP1.33
Rot. Bonds3

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

6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine (PubChem CID 157481139) has the molecular formula C11H13ClFN5O2 and a molecular weight of 301.71 g/mol. Its IUPAC name is 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
PubChem CID157481139
Molecular FormulaC11H13ClFN5O2
Molecular Weight301.71 g/mol
Exact Mass301.07
IUPAC Name6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
SMILESCOC[C@@H]1C[C@H](F)[C@H](n2cnc3c(Cl)nc(N)nc32)O1
InChIInChI=1S/C11H13ClFN5O2/c1-19-3-5-2-6(13)10(20-5)18-4-15-7-8(12)16-11(14)17-9(7)18/h4-6,10H,2-3H2,1H3,(H2,14,16,17)/t5-,6-,10+/m0/s1
InChIKeyBWEBPGQZMCPYAK-JFWOZONXSA-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine (CID 157481139) is 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine is COC[C@@H]1C[C@H](F)[C@H](n2cnc3c(Cl)nc(N)nc32)O1.
What is the InChIKey of 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine?
The InChIKey is BWEBPGQZMCPYAK-JFWOZONXSA-N. The full InChI is InChI=1S/C11H13ClFN5O2/c1-19-3-5-2-6(13)10(20-5)18-4-15-7-8(12)16-11(14)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 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine?
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-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 6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine is sourced from PubChem (CID 157481139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).