5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine

C13H19FN4O — CID 95122523

IUPAC5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1cnc(NC[C@H]2CCCO2)nc1N1CCCC1
InChIInChI=1S/C13H19FN4O/c14-11-9-16-13(15-8-10-4-3-7-19-10)17-12(11)18-5-1-2-6-18/h9-10H,1-8H2,(H,15,16,17)/t10-/m1/s1
InChIKeyDEZMCWUEYTXHTO-SNVBAGLBSA-N
MW266.32 g/mol
LogP1.81
Rot. Bonds4

About 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine

5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 95122523) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID95122523
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1cnc(NC[C@H]2CCCO2)nc1N1CCCC1
InChIInChI=1S/C13H19FN4O/c14-11-9-16-13(15-8-10-4-3-7-19-10)17-12(11)18-5-1-2-6-18/h9-10H,1-8H2,(H,15,16,17)/t10-/m1/s1
InChIKeyDEZMCWUEYTXHTO-SNVBAGLBSA-N
XLogP1.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 95122523) is 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is Fc1cnc(NC[C@H]2CCCO2)nc1N1CCCC1.
What is the InChIKey of 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is DEZMCWUEYTXHTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-11-9-16-13(15-8-10-4-3-7-19-10)17-12(11)18-5-1-2-6-18/h9-10H,1-8H2,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 266.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 95122523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).