2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine

C16H18BrN3 — CID 558360

IUPAC2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine
SMILESCc1cc(N2CCCCC2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H18BrN3/c1-12-11-15(20-9-3-2-4-10-20)19-16(18-12)13-5-7-14(17)8-6-13/h5-8,11H,2-4,9-10H2,1H3
InChIKeyXPDOZICZTRJZBG-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.20
Rot. Bonds2

About 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine

2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine (PubChem CID 558360) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine
PubChem CID558360
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine
SMILESCc1cc(N2CCCCC2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H18BrN3/c1-12-11-15(20-9-3-2-4-10-20)19-16(18-12)13-5-7-14(17)8-6-13/h5-8,11H,2-4,9-10H2,1H3
InChIKeyXPDOZICZTRJZBG-UHFFFAOYSA-N
XLogP4.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine (CID 558360) is 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine is Cc1cc(N2CCCCC2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine?
The InChIKey is XPDOZICZTRJZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-12-11-15(20-9-3-2-4-10-20)19-16(18-12)13-5-7-14(17)8-6-13/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine?
2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine has a molecular weight of 332.25 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methyl-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 558360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).