5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine

C14H20BrN3O — CID 59525009

IUPAC5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
SMILESBrc1cnc(N2CCC(OC3CCCC3)CC2)nc1
InChIInChI=1S/C14H20BrN3O/c15-11-9-16-14(17-10-11)18-7-5-13(6-8-18)19-12-3-1-2-4-12/h9-10,12-13H,1-8H2
InChIKeyGDPUAMSXWPTRQF-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine

5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine (PubChem CID 59525009) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
PubChem CID59525009
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
SMILESBrc1cnc(N2CCC(OC3CCCC3)CC2)nc1
InChIInChI=1S/C14H20BrN3O/c15-11-9-16-14(17-10-11)18-7-5-13(6-8-18)19-12-3-1-2-4-12/h9-10,12-13H,1-8H2
InChIKeyGDPUAMSXWPTRQF-UHFFFAOYSA-N
XLogP3.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 146078517
5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 68820780
5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine
CID 59524972
cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate
CID 91041255
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63873038
1-(5-bromopyrimidin-2-yl)-4-(cyclobutylmethyl)-1,4-diazepane
CID 122154431
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
5-bromo-2-[4-(2-butan-2-ylphenoxy)piperidin-1-yl]pyrimidine
CID 68711846
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine (CID 59525009) is 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine is Brc1cnc(N2CCC(OC3CCCC3)CC2)nc1.
What is the InChIKey of 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine?
The InChIKey is GDPUAMSXWPTRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-11-9-16-14(17-10-11)18-7-5-13(6-8-18)19-12-3-1-2-4-12/h9-10,12-13H,1-8H2.
What are the key properties of 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine?
5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine has a molecular weight of 326.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 59525009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).