[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone

C19H19N5O2 — CID 129355538

IUPAC[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C19H19N5O2/c1-12-9-13(2)22-19(21-12)26-14-7-8-24(11-14)18(25)17-10-20-15-5-3-4-6-16(15)23-17/h3-6,9-10,14H,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeyKDSMDBKWAOXKLH-CQSZACIVSA-N
MW349.39 g/mol
LogP2.33
Rot. Bonds3

About [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 129355538) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID129355538
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C19H19N5O2/c1-12-9-13(2)22-19(21-12)26-14-7-8-24(11-14)18(25)17-10-20-15-5-3-4-6-16(15)23-17/h3-6,9-10,14H,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeyKDSMDBKWAOXKLH-CQSZACIVSA-N
XLogP2.33
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone with MolForge

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Related Compounds

(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 91627765
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129355047
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121017571
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100305
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 121017545
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 129355268
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone (CID 129355538) is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone is Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C2)n1.
What is the InChIKey of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is KDSMDBKWAOXKLH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-9-13(2)22-19(21-12)26-14-7-8-24(11-14)18(25)17-10-20-15-5-3-4-6-16(15)23-17/h3-6,9-10,14H,7-8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 129355538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).