4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine

C19H25FN6 — CID 112857944

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1
InChIInChI=1S/C19H25FN6/c1-23-6-8-25(9-7-23)18-14-19(22-15-21-18)26-12-10-24(11-13-26)17-5-3-2-4-16(17)20/h2-5,14-15H,6-13H2,1H3
InChIKeyYPPHIEYRJGNHGL-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.69
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 112857944) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID112857944
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1
InChIInChI=1S/C19H25FN6/c1-23-6-8-25(9-7-23)18-14-19(22-15-21-18)26-12-10-24(11-13-26)17-5-3-2-4-16(17)20/h2-5,14-15H,6-13H2,1H3
InChIKeyYPPHIEYRJGNHGL-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
7-[4-(4-Fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1966878
N2-(4-fluorophenyl)-N4-phenyl-N6-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 46913817
Bisanilinopyrimidine, 6l
CID 70702141
N-cyano-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-2-carboximidamide
CID 56971262
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1408942
2-(4-Phenylpiperazin-1-yl)pyrimidine
CID 5190582
1-(6-Methylpyridin-2-yl)-4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazine
CID 11604196
1-Phenyl-4-(6-(4-(pyridin-2-yl)piperazin-1-yl)hexyl)piperazine
CID 11704191
Methyl-{4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-pyrimidin-2-yl-amine
CID 11794122
6-(4-methylpiperazin-1-yl)-4-N-phenylpyrimidine-2,4-diamine
CID 16061839

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine (CID 112857944) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is YPPHIEYRJGNHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6/c1-23-6-8-25(9-7-23)18-14-19(22-15-21-18)26-12-10-24(11-13-26)17-5-3-2-4-16(17)20/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 356.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112857944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).