2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C12H16F3N3O — CID 137009789

IUPAC2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC(C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C12H16F3N3O/c1-2-9-16-10(6-11(19)17-9)18-5-3-4-8(7-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17,19)
InChIKeyVEUHQKLXIZDUJK-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.11
Rot. Bonds2

About 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009789) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009789
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC(C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C12H16F3N3O/c1-2-9-16-10(6-11(19)17-9)18-5-3-4-8(7-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17,19)
InChIKeyVEUHQKLXIZDUJK-UHFFFAOYSA-N
XLogP2.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.11
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
2-piperidin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103142
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371585
2-methyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136951448
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
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
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
2-cyclopropyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136990018

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 137009789) is 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CCc1nc(N2CCCC(C(F)(F)F)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is VEUHQKLXIZDUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-9-16-10(6-11(19)17-9)18-5-3-4-8(7-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17,19).
What are the key properties of 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 275.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).