2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine

C13H18F3N3O — CID 168905328

IUPAC2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine
SMILESCc1nc(C)c(C)c(N2CCC(OC(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-8-9(2)17-10(3)18-12(8)19-6-4-11(5-7-19)20-13(14,15)16/h11H,4-7H2,1-3H3
InChIKeyRSVLCAVSTPAMDT-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.91
Rot. Bonds2

About 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine

2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine (PubChem CID 168905328) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine
PubChem CID168905328
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine
SMILESCc1nc(C)c(C)c(N2CCC(OC(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-8-9(2)17-10(3)18-12(8)19-6-4-11(5-7-19)20-13(14,15)16/h11H,4-7H2,1-3H3
InChIKeyRSVLCAVSTPAMDT-UHFFFAOYSA-N
XLogP2.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine (CID 168905328) is 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine is Cc1nc(C)c(C)c(N2CCC(OC(F)(F)F)CC2)n1.
What is the InChIKey of 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine?
The InChIKey is RSVLCAVSTPAMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-9(2)17-10(3)18-12(8)19-6-4-11(5-7-19)20-13(14,15)16/h11H,4-7H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine?
2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine has a molecular weight of 289.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 168905328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).