4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine

C19H19F3N6O3S — CID 121074092

IUPAC4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)ncn1
InChIInChI=1S/C19H19F3N6O3S/c1-14-23-6-7-28(14)18-12-17(24-13-25-18)26-8-10-27(11-9-26)32(29,30)16-4-2-15(3-5-16)31-19(20,21)22/h2-7,12-13H,8-11H2,1H3
InChIKeyBWTDNQQTFGVSAM-UHFFFAOYSA-N
MW468.46 g/mol
LogP2.38
Rot. Bonds5

About 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine

4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 121074092) has the molecular formula C19H19F3N6O3S and a molecular weight of 468.46 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
PubChem CID121074092
Molecular FormulaC19H19F3N6O3S
Molecular Weight468.46 g/mol
Exact Mass468.12
IUPAC Name4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)ncn1
InChIInChI=1S/C19H19F3N6O3S/c1-14-23-6-7-28(14)18-12-17(24-13-25-18)26-8-10-27(11-9-26)32(29,30)16-4-2-15(3-5-16)31-19(20,21)22/h2-7,12-13H,8-11H2,1H3
InChIKeyBWTDNQQTFGVSAM-UHFFFAOYSA-N
XLogP2.38
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 56699534
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539689
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338905
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338861
4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338868
4-[(2-methylimidazol-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 90494818
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921466
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
6-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122338902
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine (CID 121074092) is 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine is Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)ncn1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is BWTDNQQTFGVSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3S/c1-14-23-6-7-28(14)18-12-17(24-13-25-18)26-8-10-27(11-9-26)32(29,30)16-4-2-15(3-5-16)31-19(20,21)22/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 468.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 121074092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).