2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine

C21H22FN5O2S — CID 53093477

IUPAC2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C21H22FN5O2S/c1-16-14-20(24-18-7-3-2-4-8-18)25-21(23-16)26-10-12-27(13-11-26)30(28,29)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyLMXYODGPFPQZFD-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.18
Rot. Bonds5

About 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine

2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine (PubChem CID 53093477) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
PubChem CID53093477
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC Name2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C21H22FN5O2S/c1-16-14-20(24-18-7-3-2-4-8-18)25-21(23-16)26-10-12-27(13-11-26)30(28,29)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyLMXYODGPFPQZFD-UHFFFAOYSA-N
XLogP3.18
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 44826804
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 27463460
methyl 2-[3-[4-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylphenyl]acetate
CID 122624117
4-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 50947561
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
N-(3-fluorophenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924064
2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346510
2-(azepan-1-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112926743
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
CID 134410110
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 121031770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine (CID 53093477) is 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine is Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is LMXYODGPFPQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c1-16-14-20(24-18-7-3-2-4-8-18)25-21(23-16)26-10-12-27(13-11-26)30(28,29)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3,(H,23,24,25).
What are the key properties of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine?
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 427.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 53093477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).