3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione

C18H20F3N3O2 — CID 3471117

IUPAC3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCCCC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20F3N3O2/c1-23-16(25)14(11-12-6-5-7-13(10-12)18(19,20)21)15(22-17(23)26)24-8-3-2-4-9-24/h5-7,10H,2-4,8-9,11H2,1H3,(H,22,26)
InChIKeyCUMMVINYBDSHOC-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.67
Rot. Bonds3

About 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione

3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 3471117) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID3471117
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCCCC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20F3N3O2/c1-23-16(25)14(11-12-6-5-7-13(10-12)18(19,20)21)15(22-17(23)26)24-8-3-2-4-9-24/h5-7,10H,2-4,8-9,11H2,1H3,(H,22,26)
InChIKeyCUMMVINYBDSHOC-UHFFFAOYSA-N
XLogP2.67
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 3471117) is 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCCCC2)c(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CUMMVINYBDSHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-23-16(25)14(11-12-6-5-7-13(10-12)18(19,20)21)15(22-17(23)26)24-8-3-2-4-9-24/h5-7,10H,2-4,8-9,11H2,1H3,(H,22,26).
What are the key properties of 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 367.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3471117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).