5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine

C15H24BrN5 — CID 79961331

IUPAC5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN3CCN2CC3)nc(CC)c1Br
InChIInChI=1S/C15H24BrN5/c1-3-5-17-15-13(16)11(4-2)18-14(19-15)12-10-20-6-8-21(12)9-7-20/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyYSVAHEGKQGEMAN-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.30
Rot. Bonds5

About 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine

5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine (PubChem CID 79961331) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
PubChem CID79961331
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC Name5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN3CCN2CC3)nc(CC)c1Br
InChIInChI=1S/C15H24BrN5/c1-3-5-17-15-13(16)11(4-2)18-14(19-15)12-10-20-6-8-21(12)9-7-20/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyYSVAHEGKQGEMAN-UHFFFAOYSA-N
XLogP2.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 79961160
5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
CID 66301225
5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66298476
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 79974023
5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 79096555
2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-1,4-diazabicyclo[2.2.2]octane
CID 79969290
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66299847
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79961334
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-ethyl-6-methylpyrimidin-4-amine
CID 79974859
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine (CID 79961331) is 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CN3CCN2CC3)nc(CC)c1Br.
What is the InChIKey of 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is YSVAHEGKQGEMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c1-3-5-17-15-13(16)11(4-2)18-14(19-15)12-10-20-6-8-21(12)9-7-20/h12H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 354.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79961331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).