5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C11H14F3N3O2 — CID 137009788

IUPAC5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C(F)(F)F)C2)nc[nH]c1=O
InChIInChI=1S/C11H14F3N3O2/c1-19-8-9(15-6-16-10(8)18)17-4-2-3-7(5-17)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyAUFWVUKXWFMHJJ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.56
Rot. Bonds2

About 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009788) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009788
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C(F)(F)F)C2)nc[nH]c1=O
InChIInChI=1S/C11H14F3N3O2/c1-19-8-9(15-6-16-10(8)18)17-4-2-3-7(5-17)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyAUFWVUKXWFMHJJ-UHFFFAOYSA-N
XLogP1.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976596
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009571
5-methoxy-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009783
5-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009793
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805352
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805362

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 137009788) is 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is COc1c(N2CCCC(C(F)(F)F)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is AUFWVUKXWFMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-19-8-9(15-6-16-10(8)18)17-4-2-3-7(5-17)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,16,18).
What are the key properties of 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 277.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).