5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C12H16F3N3O — CID 166306959

IUPAC5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cnc(N2CCC(C)(C(F)(F)F)CC2)[nH]c1=O
InChIInChI=1S/C12H16F3N3O/c1-8-7-16-10(17-9(8)19)18-5-3-11(2,4-6-18)12(13,14)15/h7H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyUUIXJRHYLXMBTP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.25
Rot. Bonds1

About 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 166306959) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID166306959
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cnc(N2CCC(C)(C(F)(F)F)CC2)[nH]c1=O
InChIInChI=1S/C12H16F3N3O/c1-8-7-16-10(17-9(8)19)18-5-3-11(2,4-6-18)12(13,14)15/h7H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyUUIXJRHYLXMBTP-UHFFFAOYSA-N
XLogP2.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 166306959) is 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is Cc1cnc(N2CCC(C)(C(F)(F)F)CC2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UUIXJRHYLXMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8-7-16-10(17-9(8)19)18-5-3-11(2,4-6-18)12(13,14)15/h7H,3-6H2,1-2H3,(H,16,17,19).
What are the key properties of 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 275.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166306959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).