methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate

C12H13F4N3O2 — CID 169238486

IUPACmethyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CC(F)(F)CC(F)(F)C2)n1
InChIInChI=1S/C12H13F4N3O2/c1-7-3-8(9(20)21-2)18-10(17-7)19-5-11(13,14)4-12(15,16)6-19/h3H,4-6H2,1-2H3
InChIKeyRZZXDFURRSYFKL-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.05
Rot. Bonds2

About methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate

methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate (PubChem CID 169238486) has the molecular formula C12H13F4N3O2 and a molecular weight of 307.25 g/mol. Its IUPAC name is methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate
PubChem CID169238486
Molecular FormulaC12H13F4N3O2
Molecular Weight307.25 g/mol
Exact Mass307.09
IUPAC Namemethyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CC(F)(F)CC(F)(F)C2)n1
InChIInChI=1S/C12H13F4N3O2/c1-7-3-8(9(20)21-2)18-10(17-7)19-5-11(13,14)4-12(15,16)6-19/h3H,4-6H2,1-2H3
InChIKeyRZZXDFURRSYFKL-UHFFFAOYSA-N
XLogP2.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate 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 methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate (CID 169238486) is methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(N2CC(F)(F)CC(F)(F)C2)n1.
What is the InChIKey of methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate?
The InChIKey is RZZXDFURRSYFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O2/c1-7-3-8(9(20)21-2)18-10(17-7)19-5-11(13,14)4-12(15,16)6-19/h3H,4-6H2,1-2H3.
What are the key properties of methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate?
methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate has a molecular weight of 307.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-(3,3,5,5-tetrafluoropiperidin-1-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 169238486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).