1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione

C20H24N4O3 — CID 90637713

IUPAC1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione
SMILESCN(C)c1cncc(OC2CCN(C(=O)CCC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C20H24N4O3/c1-23(2)18-12-21-13-19(22-18)27-16-10-11-24(14-16)20(26)9-8-17(25)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3
InChIKeySBGVCYMIOFGGSE-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.19
Rot. Bonds7

About 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione

1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione (PubChem CID 90637713) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione.

Molecular Properties

Compound Name1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione
PubChem CID90637713
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione
SMILESCN(C)c1cncc(OC2CCN(C(=O)CCC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C20H24N4O3/c1-23(2)18-12-21-13-19(22-18)27-16-10-11-24(14-16)20(26)9-8-17(25)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3
InChIKeySBGVCYMIOFGGSE-UHFFFAOYSA-N
XLogP2.19
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]butan-1-one
CID 90637772
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 90637973
N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081
2-cyclohexyl-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 90637761
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 100616302
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
2-(3,4-dimethoxyphenyl)-1-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 100616751
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 100618627

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione?
The IUPAC name of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione (CID 90637713) is 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione.
What is the SMILES notation for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione?
The canonical SMILES for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione is CN(C)c1cncc(OC2CCN(C(=O)CCC(=O)c3ccccc3)C2)n1.
What is the InChIKey of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione?
The InChIKey is SBGVCYMIOFGGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(2)18-12-21-13-19(22-18)27-16-10-11-24(14-16)20(26)9-8-17(25)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3.
What are the key properties of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione?
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione has a molecular weight of 368.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione is sourced from PubChem (CID 90637713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).