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

C23H22F2N4O2 — CID 91887425

IUPAC2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H22F2N4O2/c1-16-14-21(30)29(23(26-16)17-6-8-18(24)9-7-17)15-22(31)28-12-10-27(11-13-28)20-5-3-2-4-19(20)25/h2-9,14H,10-13,15H2,1H3
InChIKeyDISHXYXQKWEEGV-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.85
Rot. Bonds4

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

2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one (PubChem CID 91887425) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
PubChem CID91887425
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H22F2N4O2/c1-16-14-21(30)29(23(26-16)17-6-8-18(24)9-7-17)15-22(31)28-12-10-27(11-13-28)20-5-3-2-4-19(20)25/h2-9,14H,10-13,15H2,1H3
InChIKeyDISHXYXQKWEEGV-UHFFFAOYSA-N
XLogP2.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Diethyl-4-{(4-ethyl-piperazin-1-yl)-[(Z)-2-fluoro-phenylimino]-methyl}-benzamide
CID 10158504
N,N-Diethyl-4-{(4-ethyl-piperazin-1-yl)-[(Z)-3-fluoro-phenylimino]-methyl}-benzamide
CID 10201643
1-{1-Benzyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl}ethanone
CID 1343548
9-Methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-4H-pyrido[1,2-A]pyrimidin-4-one
CID 16033036
6-Phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one
CID 134130379
7-Benzyl-6-imino-5-(4-phenylpiperazine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
CID 145975177
(4-(4-methyl-3-oxopiperazin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 152541101
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methylphenyl)acetamide
CID 49807213
2-(4-Fluorophenyl)-3-{2-[4-(4-fluorophenyl)piperazin-1-YL]-2-oxoethyl}-6-methyl-3,4-dihydropyrimidin-4-one
CID 49807284
N-(2-Fluorophenyl)-2-[4-methyl-6-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 49813434
(E)-N'-cyano-N-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-N-(p-tolyl)formimidamide
CID 658366
N-(3-Fluoro-4-methylphenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-YL)-1,6-dihydropyridazin-1-YL]acetamide
CID 16024667

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one (CID 91887425) is 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The InChIKey is DISHXYXQKWEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-16-14-21(30)29(23(26-16)17-6-8-18(24)9-7-17)15-22(31)28-12-10-27(11-13-28)20-5-3-2-4-19(20)25/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one has a molecular weight of 424.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 91887425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).