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

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 24715570
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one
CID 171334290
3-fluoro-2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 166605404
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343620
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-6-(trifluoromethyl)benzonitrile
CID 171327378

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).