4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

C20H26F2N6O2S — CID 56699842

IUPAC4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C20H26F2N6O2S/c1-15-23-19(26-7-5-25(2)6-8-26)14-20(24-15)27-9-11-28(12-10-27)31(29,30)18-4-3-16(21)13-17(18)22/h3-4,13-14H,5-12H2,1-2H3
InChIKeyGJUASZAYFHSTKI-UHFFFAOYSA-N
MW452.53 g/mol
LogP1.33
Rot. Bonds4

About 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 56699842) has the molecular formula C20H26F2N6O2S and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID56699842
Molecular FormulaC20H26F2N6O2S
Molecular Weight452.53 g/mol
Exact Mass452.18
IUPAC Name4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C20H26F2N6O2S/c1-15-23-19(26-7-5-25(2)6-8-26)14-20(24-15)27-9-11-28(12-10-27)31(29,30)18-4-3-16(21)13-17(18)22/h3-4,13-14H,5-12H2,1-2H3
InChIKeyGJUASZAYFHSTKI-UHFFFAOYSA-N
XLogP1.33
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 50947923
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348624
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56700392
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920406
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 50944762
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 42111553
N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
CID 53049012

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (CID 56699842) is 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is GJUASZAYFHSTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N6O2S/c1-15-23-19(26-7-5-25(2)6-8-26)14-20(24-15)27-9-11-28(12-10-27)31(29,30)18-4-3-16(21)13-17(18)22/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 452.53 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 56699842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).