4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid

C13H15F6N3O3 — CID 87944972

IUPAC4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O.C2HF3O2/c1-7-6-9(17-10(16-7)11(12,13)14)18-8-2-4-15-5-3-8;3-2(4,5)1(6)7/h6,8,15H,2-5H2,1H3;(H,6,7)
InChIKeyPYUNISDBVNUUIC-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.57
Rot. Bonds2

About 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid

4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 87944972) has the molecular formula C13H15F6N3O3 and a molecular weight of 375.27 g/mol. Its IUPAC name is 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID87944972
Molecular FormulaC13H15F6N3O3
Molecular Weight375.27 g/mol
Exact Mass375.10
IUPAC Name4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O.C2HF3O2/c1-7-6-9(17-10(16-7)11(12,13)14)18-8-2-4-15-5-3-8;3-2(4,5)1(6)7/h6,8,15H,2-5H2,1H3;(H,6,7)
InChIKeyPYUNISDBVNUUIC-UHFFFAOYSA-N
XLogP2.57
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid 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-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid (CID 87944972) is 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid is Cc1cc(OC2CCNCC2)nc(C(F)(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is PYUNISDBVNUUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O.C2HF3O2/c1-7-6-9(17-10(16-7)11(12,13)14)18-8-2-4-15-5-3-8;3-2(4,5)1(6)7/h6,8,15H,2-5H2,1H3;(H,6,7).
What are the key properties of 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 375.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87944972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).