4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine

C14H14BrFN4 — CID 103278364

IUPAC4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine
SMILESFc1ccc(-c2ccnc(N3CCNCC3)n2)cc1Br
InChIInChI=1S/C14H14BrFN4/c15-11-9-10(1-2-12(11)16)13-3-4-18-14(19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2
InChIKeyHAWFRHNDOYFPGX-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.45
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine

4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine (PubChem CID 103278364) has the molecular formula C14H14BrFN4 and a molecular weight of 337.20 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine
PubChem CID103278364
Molecular FormulaC14H14BrFN4
Molecular Weight337.20 g/mol
Exact Mass336.04
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine
SMILESFc1ccc(-c2ccnc(N3CCNCC3)n2)cc1Br
InChIInChI=1S/C14H14BrFN4/c15-11-9-10(1-2-12(11)16)13-3-4-18-14(19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2
InChIKeyHAWFRHNDOYFPGX-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
1-[4-(3-fluorophenyl)pyrimidin-2-yl]-1,4-diazepane
CID 103279542
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
CID 68575451
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine
CID 103278321
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine
CID 67606824
4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine
CID 106758887
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane
CID 174183144
6-chloro-3-(2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 139365202

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine (CID 103278364) is 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine is Fc1ccc(-c2ccnc(N3CCNCC3)n2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is HAWFRHNDOYFPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4/c15-11-9-10(1-2-12(11)16)13-3-4-18-14(19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine?
4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 337.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 103278364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).