[(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine

C10H12FN5O — CID 153344824

IUPAC[(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)[C@H](n2cnc3cncnc32)O1
InChIInChI=1S/C10H12FN5O/c11-7-1-6(2-12)17-10(7)16-5-15-8-3-13-4-14-9(8)16/h3-7,10H,1-2,12H2/t6-,7+,10+/m0/s1
InChIKeyYVTMYCFEDYWBCU-NYNCVSEMSA-N
MW237.24 g/mol
LogP0.41
Rot. Bonds2

About [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine

[(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine (PubChem CID 153344824) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine
PubChem CID153344824
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name[(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)[C@H](n2cnc3cncnc32)O1
InChIInChI=1S/C10H12FN5O/c11-7-1-6(2-12)17-10(7)16-5-15-8-3-13-4-14-9(8)16/h3-7,10H,1-2,12H2/t6-,7+,10+/m0/s1
InChIKeyYVTMYCFEDYWBCU-NYNCVSEMSA-N
XLogP0.41
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine?
The IUPAC name of [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine (CID 153344824) is [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine.
What is the SMILES notation for [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine?
The canonical SMILES for [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine is NC[C@@H]1C[C@@H](F)[C@H](n2cnc3cncnc32)O1.
What is the InChIKey of [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine?
The InChIKey is YVTMYCFEDYWBCU-NYNCVSEMSA-N. The full InChI is InChI=1S/C10H12FN5O/c11-7-1-6(2-12)17-10(7)16-5-15-8-3-13-4-14-9(8)16/h3-7,10H,1-2,12H2/t6-,7+,10+/m0/s1.
What are the key properties of [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine?
[(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine has a molecular weight of 237.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-4-fluoro-5-purin-9-yloxolan-2-yl]methanamine is sourced from PubChem (CID 153344824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).