4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine

C18H19F3N4O2S — CID 72717221

IUPAC4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C18H19F3N4O2S/c19-18(20,21)14-3-1-2-4-16(14)28(26,27)25-9-7-24(8-10-25)17-11-15(13-5-6-13)22-12-23-17/h1-4,11-13H,5-10H2
InChIKeyBYVUSBNMUFJJGV-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.88
Rot. Bonds4

About 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine

4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 72717221) has the molecular formula C18H19F3N4O2S and a molecular weight of 412.44 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
PubChem CID72717221
Molecular FormulaC18H19F3N4O2S
Molecular Weight412.44 g/mol
Exact Mass412.12
IUPAC Name4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C18H19F3N4O2S/c19-18(20,21)14-3-1-2-4-16(14)28(26,27)25-9-7-24(8-10-25)17-11-15(13-5-6-13)22-12-23-17/h1-4,11-13H,5-10H2
InChIKeyBYVUSBNMUFJJGV-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56764827
3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 42110742
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
CID 171336242
6-(benzenesulfonyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 172906148
N-pyridin-2-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 50947239
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine (CID 72717221) is 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is BYVUSBNMUFJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2S/c19-18(20,21)14-3-1-2-4-16(14)28(26,27)25-9-7-24(8-10-25)17-11-15(13-5-6-13)22-12-23-17/h1-4,11-13H,5-10H2.
What are the key properties of 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 412.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 72717221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).