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

C11H14F3N3O — CID 136957964

IUPAC2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7-15-9(6-10(18)16-7)17-4-2-8(3-5-17)11(12,13)14/h6,8H,2-5H2,1H3,(H,15,16,18)
InChIKeyOXPKBKCBDDFBNF-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.86
Rot. Bonds1

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

2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957964) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957964
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7-15-9(6-10(18)16-7)17-4-2-8(3-5-17)11(12,13)14/h6,8H,2-5H2,1H3,(H,15,16,18)
InChIKeyOXPKBKCBDDFBNF-UHFFFAOYSA-N
XLogP1.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136487742
3-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4(3H)-one
CID 132451116
4-(difluoromethyl)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136103165
2-piperidin-4-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103186
2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136313371
2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371500
2-methyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136951448
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957958
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136957964) is 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCC(C(F)(F)F)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OXPKBKCBDDFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-15-9(6-10(18)16-7)17-4-2-8(3-5-17)11(12,13)14/h6,8H,2-5H2,1H3,(H,15,16,18).
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 261.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).