5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine

C11H16BrN3O — CID 66320956

IUPAC5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
SMILESCN1CCCC1CCOc1ncncc1Br
InChIInChI=1S/C11H16BrN3O/c1-15-5-2-3-9(15)4-6-16-11-10(12)7-13-8-14-11/h7-9H,2-6H2,1H3
InChIKeyJBWUCCNABSBQGV-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.10
Rot. Bonds4

About 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine

5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine (PubChem CID 66320956) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
PubChem CID66320956
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
SMILESCN1CCCC1CCOc1ncncc1Br
InChIInChI=1S/C11H16BrN3O/c1-15-5-2-3-9(15)4-6-16-11-10(12)7-13-8-14-11/h7-9H,2-6H2,1H3
InChIKeyJBWUCCNABSBQGV-UHFFFAOYSA-N
XLogP2.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The IUPAC name of 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine (CID 66320956) is 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine.
What is the SMILES notation for 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The canonical SMILES for 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine is CN1CCCC1CCOc1ncncc1Br.
What is the InChIKey of 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The InChIKey is JBWUCCNABSBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15-5-2-3-9(15)4-6-16-11-10(12)7-13-8-14-11/h7-9H,2-6H2,1H3.
What are the key properties of 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine has a molecular weight of 286.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine is sourced from PubChem (CID 66320956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).