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

C11H15BrFN3O — CID 134521035

IUPAC5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
SMILESFCCCN1CC[C@H](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/t10-/m0/s1
InChIKeyUWXOIGYYIAGJKD-JTQLQIEISA-N
MW304.16 g/mol
LogP2.05
Rot. Bonds5

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

5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine (PubChem CID 134521035) has the molecular formula C11H15BrFN3O and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
PubChem CID134521035
Molecular FormulaC11H15BrFN3O
Molecular Weight304.16 g/mol
Exact Mass303.04
IUPAC Name5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
SMILESFCCCN1CC[C@H](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/t10-/m0/s1
InChIKeyUWXOIGYYIAGJKD-JTQLQIEISA-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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Related Compounds

2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine
CID 134521069
5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde
CID 174210863
(3S)-3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 154703687
3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine;hydrochloride
CID 154791786
2-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163346232
4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
CID 134520891
2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 146078517
6-(2-fluoro-4-methylphenyl)-5-[2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidin-5-yl]-8,9-dihydro-7H-benzo[7]annulen-2-amine
CID 142351276
3-[4-(dimethoxymethyl)-3,5-difluorophenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 134521046
6-bromo-1-fluoro-5-[6-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 134520866
[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl] carbamate
CID 175486162
1-(3-fluoropropyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolidine
CID 174110254

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine (CID 134521035) is 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine is FCCCN1CC[C@H](Oc2ncc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
The InChIKey is UWXOIGYYIAGJKD-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of 5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine?
5-bromo-2-[(3S)-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-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 134521035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).