[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H17FN6O2 — CID 120929245

IUPAC[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1c1ncnc2nc[nH]c12)N1CCOCC1
InChIInChI=1S/C14H17FN6O2/c15-9-5-10(14(22)20-1-3-23-4-2-20)21(6-9)13-11-12(17-7-16-11)18-8-19-13/h7-10H,1-6H2,(H,16,17,18,19)/t9-,10+/m1/s1
InChIKeyAAPZBAIXTMQGNG-ZJUUUORDSA-N
MW320.33 g/mol
LogP0.13
Rot. Bonds2

About [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929245) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929245
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1c1ncnc2nc[nH]c12)N1CCOCC1
InChIInChI=1S/C14H17FN6O2/c15-9-5-10(14(22)20-1-3-23-4-2-20)21(6-9)13-11-12(17-7-16-11)18-8-19-13/h7-10H,1-6H2,(H,16,17,18,19)/t9-,10+/m1/s1
InChIKeyAAPZBAIXTMQGNG-ZJUUUORDSA-N
XLogP0.13
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929245) is [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@@H](F)CN1c1ncnc2nc[nH]c12)N1CCOCC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AAPZBAIXTMQGNG-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H17FN6O2/c15-9-5-10(14(22)20-1-3-23-4-2-20)21(6-9)13-11-12(17-7-16-11)18-8-19-13/h7-10H,1-6H2,(H,16,17,18,19)/t9-,10+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 320.33 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).