6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one

C15H17FN4O — CID 171334290

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCN(c3ccccc3F)CC2)cc1=O
InChIInChI=1S/C15H17FN4O/c1-18-11-17-14(10-15(18)21)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3
InChIKeyTUHQYERQWOUNLV-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.25
Rot. Bonds2

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one

6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one (PubChem CID 171334290) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one
PubChem CID171334290
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCN(c3ccccc3F)CC2)cc1=O
InChIInChI=1S/C15H17FN4O/c1-18-11-17-14(10-15(18)21)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3
InChIKeyTUHQYERQWOUNLV-UHFFFAOYSA-N
XLogP1.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one 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-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
CID 171999304
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174480
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161640
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one (CID 171334290) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one is Cn1cnc(N2CCN(c3ccccc3F)CC2)cc1=O.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
The InChIKey is TUHQYERQWOUNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-18-11-17-14(10-15(18)21)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one?
6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one has a molecular weight of 288.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 171334290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).