2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine

C13H13BrFN5O — CID 146078517

IUPAC2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(Oc3ncc(Br)cn3)CC2)nc1
InChIInChI=1S/C13H13BrFN5O/c14-9-5-18-13(19-6-9)21-11-1-3-20(4-2-11)12-16-7-10(15)8-17-12/h5-8,11H,1-4H2
InChIKeyZAGTWCJIHQSGDC-UHFFFAOYSA-N
MW354.18 g/mol
LogP2.22
Rot. Bonds3

About 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine

2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine (PubChem CID 146078517) has the molecular formula C13H13BrFN5O and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
PubChem CID146078517
Molecular FormulaC13H13BrFN5O
Molecular Weight354.18 g/mol
Exact Mass353.03
IUPAC Name2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(Oc3ncc(Br)cn3)CC2)nc1
InChIInChI=1S/C13H13BrFN5O/c14-9-5-18-13(19-6-9)21-11-1-3-20(4-2-11)12-16-7-10(15)8-17-12/h5-8,11H,1-4H2
InChIKeyZAGTWCJIHQSGDC-UHFFFAOYSA-N
XLogP2.22
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 68820780
5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
CID 59525009
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
CID 139028665
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139029268
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 139028684
5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
CID 134521035
cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine
CID 68711846
5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
CID 139028947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine (CID 146078517) is 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine is Fc1cnc(N2CCC(Oc3ncc(Br)cn3)CC2)nc1.
What is the InChIKey of 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
The InChIKey is ZAGTWCJIHQSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN5O/c14-9-5-18-13(19-6-9)21-11-1-3-20(4-2-11)12-16-7-10(15)8-17-12/h5-8,11H,1-4H2.
What are the key properties of 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine has a molecular weight of 354.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 146078517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).