5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H21FN4O2 — CID 120768560

IUPAC5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN2CCNCC2c2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C17H21FN4O2/c1-20-10-13(16(23)21(2)17(20)24)11-22-7-6-19-9-15(22)12-4-3-5-14(18)8-12/h3-5,8,10,15,19H,6-7,9,11H2,1-2H3
InChIKeyUOARHLUHJSJWQJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.37
Rot. Bonds3

About 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 120768560) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID120768560
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN2CCNCC2c2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C17H21FN4O2/c1-20-10-13(16(23)21(2)17(20)24)11-22-7-6-19-9-15(22)12-4-3-5-14(18)8-12/h3-5,8,10,15,19H,6-7,9,11H2,1-2H3
InChIKeyUOARHLUHJSJWQJ-UHFFFAOYSA-N
XLogP0.37
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 167809253
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
CID 120768575
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine
CID 120756289
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120756565
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 120768560) is 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CN2CCNCC2c2cccc(F)c2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UOARHLUHJSJWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-20-10-13(16(23)21(2)17(20)24)11-22-7-6-19-9-15(22)12-4-3-5-14(18)8-12/h3-5,8,10,15,19H,6-7,9,11H2,1-2H3.
What are the key properties of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 332.38 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 120768560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).