5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

C18H19FN6O — CID 154853631

IUPAC5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc2ccccc2nc1N1CCN(c2nc(C)c(F)c(=O)[nH]2)CC1
InChIInChI=1S/C18H19FN6O/c1-11-15(19)17(26)23-18(21-11)25-9-7-24(8-10-25)16-12(2)20-13-5-3-4-6-14(13)22-16/h3-6H,7-10H2,1-2H3,(H,21,23,26)
InChIKeyWHLGAIWBEVUSKU-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.80
Rot. Bonds2

About 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 154853631) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID154853631
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc2ccccc2nc1N1CCN(c2nc(C)c(F)c(=O)[nH]2)CC1
InChIInChI=1S/C18H19FN6O/c1-11-15(19)17(26)23-18(21-11)25-9-7-24(8-10-25)16-12(2)20-13-5-3-4-6-14(13)22-16/h3-6H,7-10H2,1-2H3,(H,21,23,26)
InChIKeyWHLGAIWBEVUSKU-UHFFFAOYSA-N
XLogP1.80
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 154853609
3-[2-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 154854112
1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 154854082
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
CID 155799018
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
4-cyclopropyl-5-fluoro-2-(4-quinoxalin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 154829329
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
CID 82167536
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 31012765

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 154853631) is 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1nc2ccccc2nc1N1CCN(c2nc(C)c(F)c(=O)[nH]2)CC1.
What is the InChIKey of 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WHLGAIWBEVUSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-11-15(19)17(26)23-18(21-11)25-9-7-24(8-10-25)16-12(2)20-13-5-3-4-6-14(13)22-16/h3-6H,7-10H2,1-2H3,(H,21,23,26).
What are the key properties of 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 354.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154853631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).