1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol

C10H14BrN3O — CID 112627790

IUPAC1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-7(15)8-2-3-14(5-8)10-9(11)4-12-6-13-10/h4,6-8,15H,2-3,5H2,1H3
InChIKeyGAAQHDCHXFKJLX-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.45
Rot. Bonds2

About 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol

1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112627790) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID112627790
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncncc2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-7(15)8-2-3-14(5-8)10-9(11)4-12-6-13-10/h4,6-8,15H,2-3,5H2,1H3
InChIKeyGAAQHDCHXFKJLX-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine
CID 106838520
1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 103990092
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836946
1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112626332
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
CID 130742383
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 103990084
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 103942856
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 112627790) is 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ncncc2Br)C1.
What is the InChIKey of 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is GAAQHDCHXFKJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7(15)8-2-3-14(5-8)10-9(11)4-12-6-13-10/h4,6-8,15H,2-3,5H2,1H3.
What are the key properties of 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 272.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).