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

C17H19BrN4O2 — CID 126852304

IUPAC[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(Oc3ncc(Br)cn3)C2)c1
InChIInChI=1S/C17H19BrN4O2/c1-21(2)14-5-3-4-12(8-14)16(23)22-7-6-15(11-22)24-17-19-9-13(18)10-20-17/h3-5,8-10,15H,6-7,11H2,1-2H3
InChIKeyWEPUIDSNBYMPOY-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.60
Rot. Bonds4

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

[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 126852304) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID126852304
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(Oc3ncc(Br)cn3)C2)c1
InChIInChI=1S/C17H19BrN4O2/c1-21(2)14-5-3-4-12(8-14)16(23)22-7-6-15(11-22)24-17-19-9-13(18)10-20-17/h3-5,8-10,15H,6-7,11H2,1-2H3
InChIKeyWEPUIDSNBYMPOY-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126854620
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258916
[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259891
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559348
[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178515
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
CID 122258964

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 126852304) is [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCC(Oc3ncc(Br)cn3)C2)c1.
What is the InChIKey of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is WEPUIDSNBYMPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-21(2)14-5-3-4-12(8-14)16(23)22-7-6-15(11-22)24-17-19-9-13(18)10-20-17/h3-5,8-10,15H,6-7,11H2,1-2H3.
What are the key properties of [3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 391.27 g/mol, XLogP of 2.60, 4 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]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 126852304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).