5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine

C11H16BrN3O — CID 103749930

IUPAC5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine
SMILESCOc1nc(N2CC(C)CC2C)ncc1Br
InChIInChI=1S/C11H16BrN3O/c1-7-4-8(2)15(6-7)11-13-5-9(12)10(14-11)16-3/h5,7-8H,4,6H2,1-3H3
InChIKeyDJZYSIFGGHWDRJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.48
Rot. Bonds2

About 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine

5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine (PubChem CID 103749930) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine
PubChem CID103749930
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine
SMILESCOc1nc(N2CC(C)CC2C)ncc1Br
InChIInChI=1S/C11H16BrN3O/c1-7-4-8(2)15(6-7)11-13-5-9(12)10(14-11)16-3/h5,7-8H,4,6H2,1-3H3
InChIKeyDJZYSIFGGHWDRJ-UHFFFAOYSA-N
XLogP2.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine (CID 103749930) is 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine is COc1nc(N2CC(C)CC2C)ncc1Br.
What is the InChIKey of 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine?
The InChIKey is DJZYSIFGGHWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-4-8(2)15(6-7)11-13-5-9(12)10(14-11)16-3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine?
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine has a molecular weight of 286.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine is sourced from PubChem (CID 103749930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).