5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine

C13H19FN4O2 — CID 122562967

IUPAC5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCCC2)n1
InChIInChI=1S/C13H19FN4O2/c1-19-11-8-20-7-10(11)16-13-15-6-9(14)12(17-13)18-4-2-3-5-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1
InChIKeyMAJPOGQYHSFDNS-QWRGUYRKSA-N
MW282.32 g/mol
LogP1.04
Rot. Bonds4

About 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine

5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 122562967) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID122562967
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCCC2)n1
InChIInChI=1S/C13H19FN4O2/c1-19-11-8-20-7-10(11)16-13-15-6-9(14)12(17-13)18-4-2-3-5-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1
InChIKeyMAJPOGQYHSFDNS-QWRGUYRKSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 122562967) is 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine is CO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCCC2)n1.
What is the InChIKey of 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is MAJPOGQYHSFDNS-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-19-11-8-20-7-10(11)16-13-15-6-9(14)12(17-13)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-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 282.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 122562967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).