4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

C15H18F3N5O — CID 128977623

IUPAC4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C15H18F3N5O/c1-22-9-11(15(16,17)18)20-13(22)10-4-3-7-23(8-10)14-19-6-5-12(21-14)24-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVNUGNXMGMOCUKN-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.62
Rot. Bonds3

About 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 128977623) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID128977623
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C15H18F3N5O/c1-22-9-11(15(16,17)18)20-13(22)10-4-3-7-23(8-10)14-19-6-5-12(21-14)24-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVNUGNXMGMOCUKN-UHFFFAOYSA-N
XLogP2.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 128977623) is 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is COc1ccnc(N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1.
What is the InChIKey of 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is VNUGNXMGMOCUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22-9-11(15(16,17)18)20-13(22)10-4-3-7-23(8-10)14-19-6-5-12(21-14)24-2/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 341.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 128977623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).