2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C15H17FN4O — CID 135417604

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C15H17FN4O/c1-11-10-14(21)18-15(17-11)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyQAKYQTSWRRAETC-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.54
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135417604) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135417604
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C15H17FN4O/c1-11-10-14(21)18-15(17-11)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyQAKYQTSWRRAETC-UHFFFAOYSA-N
XLogP1.54
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-phenyl-1-piperazinyl)-
CID 135417551
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
2-{[4-(dimethylamino)phenyl]amino}-6-methyl-4(3H)-pyrimidinone
CID 135459603
5-Ethyl-2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-6-methyl-3H-pyrimidin-4-one
CID 135477410
3-(2-(Dimethylamino)ethyl)-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 24967884
2-amino-4-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135554968
3,5,6,7-Tetrahydro-2-(4-phenyl-1-piperazinyl)-4H-cyclopentapyrimidin-4-one
CID 135500938
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135417602

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135417604) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QAKYQTSWRRAETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-10-14(21)18-15(17-11)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10H,6-9H2,1H3,(H,17,18,21).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 288.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135417604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).