2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine

C15H16BrFN4 — CID 16593308

IUPAC2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(CN2CCN(c3ncccn3)CC2)c(Br)c1
InChIInChI=1S/C15H16BrFN4/c16-14-10-13(17)3-2-12(14)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2
InChIKeyZCHFWODEEPGSAN-UHFFFAOYSA-N
MW351.22 g/mol
LogP2.70
Rot. Bonds3

About 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 16593308) has the molecular formula C15H16BrFN4 and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID16593308
Molecular FormulaC15H16BrFN4
Molecular Weight351.22 g/mol
Exact Mass350.05
IUPAC Name2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(CN2CCN(c3ncccn3)CC2)c(Br)c1
InChIInChI=1S/C15H16BrFN4/c16-14-10-13(17)3-2-12(14)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2
InChIKeyZCHFWODEEPGSAN-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-4-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine
CID 55502518
5-benzyl-2-[4-[(2-bromo-5-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 53318896
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63388082
2-[4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 1376777
4-[(2-bromo-4-fluorophenyl)methyl]-1-methylpiperazin-2-one
CID 64694567
5-methoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 3816451
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
4-fluoro-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 17424186
[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 18135238
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine (CID 16593308) is 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine is Fc1ccc(CN2CCN(c3ncccn3)CC2)c(Br)c1.
What is the InChIKey of 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is ZCHFWODEEPGSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4/c16-14-10-13(17)3-2-12(14)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2.
What are the key properties of 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 351.22 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 16593308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).