4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C12H16F3N3O2 — CID 155974214

IUPAC4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3O2/c1-19-9-7-10(20-2)17-11(16-9)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeyNWLORYRCZKFHSO-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.27
Rot. Bonds3

About 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 155974214) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID155974214
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3O2/c1-19-9-7-10(20-2)17-11(16-9)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeyNWLORYRCZKFHSO-UHFFFAOYSA-N
XLogP2.27
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethoxy-2-[4-(trifluoromethyl)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 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 155974214) is 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is COc1cc(OC)nc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is NWLORYRCZKFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-19-9-7-10(20-2)17-11(16-9)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 291.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 155974214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).