2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine

C13H21BrN4O — CID 106998163

IUPAC2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H21BrN4O/c1-15-7-6-10-5-3-4-8-18(10)13-16-9-11(14)12(17-13)19-2/h9-10,15H,3-8H2,1-2H3
InChIKeyFTZVJSSZYFWRTK-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine

2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine (PubChem CID 106998163) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine
PubChem CID106998163
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H21BrN4O/c1-15-7-6-10-5-3-4-8-18(10)13-16-9-11(14)12(17-13)19-2/h9-10,15H,3-8H2,1-2H3
InChIKeyFTZVJSSZYFWRTK-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylazepane
CID 106998939
5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 103745895
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
CID 106999679
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine
CID 106999878
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 106998160
1-(5-bromo-4-methoxypyrimidin-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103269871
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine
CID 103749930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine (CID 106998163) is 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine is CNCCC1CCCCN1c1ncc(Br)c(OC)n1.
What is the InChIKey of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is FTZVJSSZYFWRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-15-7-6-10-5-3-4-8-18(10)13-16-9-11(14)12(17-13)19-2/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine?
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 329.24 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 106998163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).