3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol

C11H16BrN3O — CID 63873222

IUPAC3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c12-9-7-13-11(14-8-9)15-5-1-3-10(15)4-2-6-16/h7-8,10,16H,1-6H2
InChIKeyJFXRQWCEDBHXRB-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.98
Rot. Bonds4

About 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 63873222) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID63873222
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c12-9-7-13-11(14-8-9)15-5-1-3-10(15)4-2-6-16/h7-8,10,16H,1-6H2
InChIKeyJFXRQWCEDBHXRB-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
2-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-2-yl]ethanol
CID 116976703
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
3-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 83063494
3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 64585862
3-[1-[4-bromo-2-(hydroxymethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 114061400
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
CID 63390154
3-bromo-5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzonitrile
CID 102816196

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol (CID 63873222) is 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1c1ncc(Br)cn1.
What is the InChIKey of 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is JFXRQWCEDBHXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-9-7-13-11(14-8-9)15-5-1-3-10(15)4-2-6-16/h7-8,10,16H,1-6H2.
What are the key properties of 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 63873222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).