5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine

C11H15BrFN3O — CID 134521038

IUPAC5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
SMILESFCCCN1CCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C11H15BrFN3O/c12-9-6-14-11(15-7-9)17-10-2-5-16(8-10)4-1-3-13/h6-7,10H,1-5,8H2
InChIKeyUWXOIGYYIAGJKD-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.05
Rot. Bonds5

About 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine

5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine (PubChem CID 134521038) has the molecular formula C11H15BrFN3O and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
PubChem CID134521038
Molecular FormulaC11H15BrFN3O
Molecular Weight304.16 g/mol
Exact Mass303.04
IUPAC Name5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
SMILESFCCCN1CCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C11H15BrFN3O/c12-9-6-14-11(15-7-9)17-10-2-5-16(8-10)4-1-3-13/h6-7,10H,1-5,8H2
InChIKeyUWXOIGYYIAGJKD-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine (CID 134521038) is 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine is FCCCN1CCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
The InChIKey is UWXOIGYYIAGJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O/c12-9-6-14-11(15-7-9)17-10-2-5-16(8-10)4-1-3-13/h6-7,10H,1-5,8H2.
What are the key properties of 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine has a molecular weight of 304.16 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 134521038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).