5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine

C20H27FN6 — CID 120768428

IUPAC5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncc(CN3CCNCC3c3cccc(F)c3)cn2)CC1
InChIInChI=1S/C20H27FN6/c1-25-7-9-26(10-8-25)20-23-12-16(13-24-20)15-27-6-5-22-14-19(27)17-3-2-4-18(21)11-17/h2-4,11-13,19,22H,5-10,14-15H2,1H3
InChIKeyKZWLFDWLJUKHOA-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.51
Rot. Bonds4

About 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine

5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 120768428) has the molecular formula C20H27FN6 and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID120768428
Molecular FormulaC20H27FN6
Molecular Weight370.48 g/mol
Exact Mass370.23
IUPAC Name5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncc(CN3CCNCC3c3cccc(F)c3)cn2)CC1
InChIInChI=1S/C20H27FN6/c1-25-7-9-26(10-8-25)20-23-12-16(13-24-20)15-27-6-5-22-14-19(27)17-3-2-4-18(21)11-17/h2-4,11-13,19,22H,5-10,14-15H2,1H3
InChIKeyKZWLFDWLJUKHOA-UHFFFAOYSA-N
XLogP1.51
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine 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

2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 120756439
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 120768704

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine (CID 120768428) is 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2ncc(CN3CCNCC3c3cccc(F)c3)cn2)CC1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is KZWLFDWLJUKHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6/c1-25-7-9-26(10-8-25)20-23-12-16(13-24-20)15-27-6-5-22-14-19(27)17-3-2-4-18(21)11-17/h2-4,11-13,19,22H,5-10,14-15H2,1H3.
What are the key properties of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine?
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 370.48 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 120768428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).