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

C19H25FN6 — CID 112888108

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1
InChIInChI=1S/C19H25FN6/c1-23-8-10-26(11-9-23)19-21-7-6-18(22-19)25-14-12-24(13-15-25)17-4-2-16(20)3-5-17/h2-7H,8-15H2,1H3
InChIKeyFIENWZVZBPCDRL-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.69
Rot. Bonds3

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

4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 112888108) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID112888108
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1
InChIInChI=1S/C19H25FN6/c1-23-8-10-26(11-9-23)19-21-7-6-18(22-19)25-14-12-24(13-15-25)17-4-2-16(20)3-5-17/h2-7H,8-15H2,1H3
InChIKeyFIENWZVZBPCDRL-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

3-fluoro-5-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171327245
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888087
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 46345558
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (CID 112888108) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is FIENWZVZBPCDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6/c1-23-8-10-26(11-9-23)19-21-7-6-18(22-19)25-14-12-24(13-15-25)17-4-2-16(20)3-5-17/h2-7H,8-15H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(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-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112888108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).