[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone

C21H18BrN3O3 — CID 126852288

IUPAC[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C21H18BrN3O3/c22-15-12-23-21(24-13-15)28-17-10-11-25(14-17)20(26)18-8-4-5-9-19(18)27-16-6-2-1-3-7-16/h1-9,12-13,17H,10-11,14H2
InChIKeyYFBOPQCSWFFQPC-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.32
Rot. Bonds5

About [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone

[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 126852288) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID126852288
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C21H18BrN3O3/c22-15-12-23-21(24-13-15)28-17-10-11-25(14-17)20(26)18-8-4-5-9-19(18)27-16-6-2-1-3-7-16/h1-9,12-13,17H,10-11,14H2
InChIKeyYFBOPQCSWFFQPC-UHFFFAOYSA-N
XLogP4.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 122258803
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122261212
3-(5-bromopyrimidin-2-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126850690
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122160997
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258916
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 126852304
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 122258823

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone (CID 126852288) is [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone is O=C(c1ccccc1Oc1ccccc1)N1CCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is YFBOPQCSWFFQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c22-15-12-23-21(24-13-15)28-17-10-11-25(14-17)20(26)18-8-4-5-9-19(18)27-16-6-2-1-3-7-16/h1-9,12-13,17H,10-11,14H2.
What are the key properties of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 440.30 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 126852288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).