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

C20H18F2N4O — CID 135629079

IUPAC4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]1
InChIInChI=1S/C20H18F2N4O/c21-15-3-1-14(2-4-15)18-13-19(27)24-20(23-18)26-11-9-25(10-12-26)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2,(H,23,24,27)
InChIKeyLZLYGQHHTHYIBR-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.04
Rot. Bonds3

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

4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135629079) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135629079
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]1
InChIInChI=1S/C20H18F2N4O/c21-15-3-1-14(2-4-15)18-13-19(27)24-20(23-18)26-11-9-25(10-12-26)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2,(H,23,24,27)
InChIKeyLZLYGQHHTHYIBR-UHFFFAOYSA-N
XLogP3.04
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644855
4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644799
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136780047
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136741001
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135911475
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
2-(chloromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 137119593
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135624606
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433022

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135629079) is 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LZLYGQHHTHYIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-15-3-1-14(2-4-15)18-13-19(27)24-20(23-18)26-11-9-25(10-12-26)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2,(H,23,24,27).
What are the key properties of 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 368.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135629079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).