(3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol

C13H20FN5O — CID 70773866

IUPAC(3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol
SMILESN[C@@H]1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@H]1O
InChIInChI=1S/C13H20FN5O/c14-9-7-16-13(17-12(9)18-4-1-2-5-18)19-6-3-10(15)11(20)8-19/h7,10-11,20H,1-6,8,15H2/t10-,11-/m1/s1
InChIKeyZDYWZAWDTFYPDY-GHMZBOCLSA-N
MW281.33 g/mol
LogP0.11
Rot. Bonds2

About (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol

(3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol (PubChem CID 70773866) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol
PubChem CID70773866
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC Name(3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol
SMILESN[C@@H]1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@H]1O
InChIInChI=1S/C13H20FN5O/c14-9-7-16-13(17-12(9)18-4-1-2-5-18)19-6-3-10(15)11(20)8-19/h7,10-11,20H,1-6,8,15H2/t10-,11-/m1/s1
InChIKeyZDYWZAWDTFYPDY-GHMZBOCLSA-N
XLogP0.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol (CID 70773866) is (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol is N[C@@H]1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol?
The InChIKey is ZDYWZAWDTFYPDY-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20FN5O/c14-9-7-16-13(17-12(9)18-4-1-2-5-18)19-6-3-10(15)11(20)8-19/h7,10-11,20H,1-6,8,15H2/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol?
(3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol has a molecular weight of 281.33 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol is sourced from PubChem (CID 70773866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).