4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

C18H25F3N6 — CID 118782275

IUPAC4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3cncn3CC(C)C)CC2)n1
InChIInChI=1S/C18H25F3N6/c1-13(2)10-27-12-22-9-15(27)11-25-4-6-26(7-5-25)17-23-14(3)8-16(24-17)18(19,20)21/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyHBSWQPRPUPWIFU-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.98
Rot. Bonds5

About 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 118782275) has the molecular formula C18H25F3N6 and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID118782275
Molecular FormulaC18H25F3N6
Molecular Weight382.43 g/mol
Exact Mass382.21
IUPAC Name4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3cncn3CC(C)C)CC2)n1
InChIInChI=1S/C18H25F3N6/c1-13(2)10-27-12-22-9-15(27)11-25-4-6-26(7-5-25)17-23-14(3)8-16(24-17)18(19,20)21/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyHBSWQPRPUPWIFU-UHFFFAOYSA-N
XLogP2.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 118782275) is 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cncn3CC(C)C)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is HBSWQPRPUPWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N6/c1-13(2)10-27-12-22-9-15(27)11-25-4-6-26(7-5-25)17-23-14(3)8-16(24-17)18(19,20)21/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 382.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118782275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).