6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine

C11H14N4O — CID 154675962

IUPAC6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine
SMILESC[C@H]1C[C@@H](Oc2cnc3nccn3c2)CN1
InChIInChI=1S/C11H14N4O/c1-8-4-9(5-13-8)16-10-6-14-11-12-2-3-15(11)7-10/h2-3,6-9,13H,4-5H2,1H3/t8-,9+/m0/s1
InChIKeyPQSJSXMCOFNUFJ-DTWKUNHWSA-N
MW218.26 g/mol
LogP0.86
Rot. Bonds2

About 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine

6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine (PubChem CID 154675962) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine
PubChem CID154675962
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine
SMILESC[C@H]1C[C@@H](Oc2cnc3nccn3c2)CN1
InChIInChI=1S/C11H14N4O/c1-8-4-9(5-13-8)16-10-6-14-11-12-2-3-15(11)7-10/h2-3,6-9,13H,4-5H2,1H3/t8-,9+/m0/s1
InChIKeyPQSJSXMCOFNUFJ-DTWKUNHWSA-N
XLogP0.86
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine (CID 154675962) is 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine is C[C@H]1C[C@@H](Oc2cnc3nccn3c2)CN1.
What is the InChIKey of 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine?
The InChIKey is PQSJSXMCOFNUFJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-4-9(5-13-8)16-10-6-14-11-12-2-3-15(11)7-10/h2-3,6-9,13H,4-5H2,1H3/t8-,9+/m0/s1.
What are the key properties of 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine?
6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 154675962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).