[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone

C15H18N6O2 — CID 100619229

IUPAC[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ncccn3)C2)n1
InChIInChI=1S/C15H18N6O2/c1-20(2)12-8-16-9-13(19-12)23-11-4-7-21(10-11)15(22)14-17-5-3-6-18-14/h3,5-6,8-9,11H,4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyBFNVLCFINFGGNB-LLVKDONJSA-N
MW314.35 g/mol
LogP0.63
Rot. Bonds4

About [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone

[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 100619229) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID100619229
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ncccn3)C2)n1
InChIInChI=1S/C15H18N6O2/c1-20(2)12-8-16-9-13(19-12)23-11-4-7-21(10-11)15(22)14-17-5-3-6-18-14/h3,5-6,8-9,11H,4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyBFNVLCFINFGGNB-LLVKDONJSA-N
XLogP0.63
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638058
4-chloro-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]butan-1-one
CID 90637772
4-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]benzonitrile
CID 100617659
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100617746
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 90638060
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 100618627
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
2-cyclohexyl-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 90637761

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone (CID 100619229) is [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone is CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ncccn3)C2)n1.
What is the InChIKey of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is BFNVLCFINFGGNB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-20(2)12-8-16-9-13(19-12)23-11-4-7-21(10-11)15(22)14-17-5-3-6-18-14/h3,5-6,8-9,11H,4,7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 314.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 100619229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).