2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine

C22H29F3N6O2S — CID 122341200

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H29F3N6O2S/c1-17-26-20(29-9-7-28(2)8-10-29)15-21(27-17)30-11-13-31(14-12-30)34(32,33)16-18-3-5-19(6-4-18)22(23,24)25/h3-6,15H,7-14,16H2,1-2H3
InChIKeyQZIAGGZRONLFII-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine (PubChem CID 122341200) has the molecular formula C22H29F3N6O2S and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
PubChem CID122341200
Molecular FormulaC22H29F3N6O2S
Molecular Weight498.58 g/mol
Exact Mass498.20
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H29F3N6O2S/c1-17-26-20(29-9-7-28(2)8-10-29)15-21(27-17)30-11-13-31(14-12-30)34(32,33)16-18-3-5-19(6-4-18)22(23,24)25/h3-6,15H,7-14,16H2,1-2H3
InChIKeyQZIAGGZRONLFII-UHFFFAOYSA-N
XLogP2.21
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine with MolForge

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Related Compounds

4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
CID 122333431
3-pyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazine
CID 122334505
3-piperidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazine
CID 122334794
N,N,6-trimethyl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidin-4-amine
CID 122332930
4-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340585
2-methyl-4-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337886
N-ethyl-6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 122351832
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
2-methyl-4-(trifluoromethyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 91631653
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyrimidine
CID 122341206
4-[6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355503
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122350473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine (CID 122341200) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine is Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
The InChIKey is QZIAGGZRONLFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N6O2S/c1-17-26-20(29-9-7-28(2)8-10-29)15-21(27-17)30-11-13-31(14-12-30)34(32,33)16-18-3-5-19(6-4-18)22(23,24)25/h3-6,15H,7-14,16H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine has a molecular weight of 498.58 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 122341200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).