4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

C15H15F4N5O — CID 139028684

IUPAC4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCC(Oc3ncc(F)cn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H15F4N5O/c1-9-22-12(15(17,18)19)6-13(23-9)24-4-2-11(3-5-24)25-14-20-7-10(16)8-21-14/h6-8,11H,2-5H2,1H3
InChIKeyIBUUYBZDBIIEOW-UHFFFAOYSA-N
MW357.31 g/mol
LogP2.78
Rot. Bonds3

About 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 139028684) has the molecular formula C15H15F4N5O and a molecular weight of 357.31 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID139028684
Molecular FormulaC15H15F4N5O
Molecular Weight357.31 g/mol
Exact Mass357.12
IUPAC Name4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCC(Oc3ncc(F)cn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H15F4N5O/c1-9-22-12(15(17,18)19)6-13(23-9)24-4-2-11(3-5-24)25-14-20-7-10(16)8-21-14/h6-8,11H,2-5H2,1H3
InChIKeyIBUUYBZDBIIEOW-UHFFFAOYSA-N
XLogP2.78
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
CID 139028665
2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 165435044
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824
5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
CID 91631451
2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 146078517
2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91892415
6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139029268
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (CID 139028684) is 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is Cc1nc(N2CCC(Oc3ncc(F)cn3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is IBUUYBZDBIIEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N5O/c1-9-22-12(15(17,18)19)6-13(23-9)24-4-2-11(3-5-24)25-14-20-7-10(16)8-21-14/h6-8,11H,2-5H2,1H3.
What are the key properties of 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 357.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 139028684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).