5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine

C13H19FN4O2 — CID 122557027

IUPAC5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine
SMILESCOc1nc(N[C@H]2COC[C@@H]2N2CCCC2)ncc1F
InChIInChI=1S/C13H19FN4O2/c1-19-12-9(14)6-15-13(17-12)16-10-7-20-8-11(10)18-4-2-3-5-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1
InChIKeyLZAXLJJETXVSFG-QWRGUYRKSA-N
MW282.32 g/mol
LogP0.90
Rot. Bonds4

About 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine (PubChem CID 122557027) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine
PubChem CID122557027
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine
SMILESCOc1nc(N[C@H]2COC[C@@H]2N2CCCC2)ncc1F
InChIInChI=1S/C13H19FN4O2/c1-19-12-9(14)6-15-13(17-12)16-10-7-20-8-11(10)18-4-2-3-5-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1
InChIKeyLZAXLJJETXVSFG-QWRGUYRKSA-N
XLogP0.90
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine (CID 122557027) is 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine is COc1nc(N[C@H]2COC[C@@H]2N2CCCC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The InChIKey is LZAXLJJETXVSFG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-19-12-9(14)6-15-13(17-12)16-10-7-20-8-11(10)18-4-2-3-5-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1.
What are the key properties of 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine has a molecular weight of 282.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 122557027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).