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

C18H20F3N3O3 — CID 4290639

IUPAC6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20F3N3O3/c1-23-16(26)14(10-11-3-2-4-12(9-11)18(19,20)21)15(22-17(23)27)24-7-5-13(25)6-8-24/h2-4,9,13,25H,5-8,10H2,1H3,(H,22,27)
InChIKeyMVYASLDUNKBHIB-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.64
Rot. Bonds3

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

6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 4290639) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID4290639
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20F3N3O3/c1-23-16(26)14(10-11-3-2-4-12(9-11)18(19,20)21)15(22-17(23)27)24-7-5-13(25)6-8-24/h2-4,9,13,25H,5-8,10H2,1H3,(H,22,27)
InChIKeyMVYASLDUNKBHIB-UHFFFAOYSA-N
XLogP1.64
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-benzyl-3-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 44426772
6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 3339962
5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 3339963
5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 3471120
5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 4614419
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 5164052
ethyl 4-[3-methyl-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-6-yl]piperazine-1-carboxylate
CID 4427345
6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 4682977
6-(4-cyclohexa-2,4-dien-1-ylcyclohexyl)-3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 68404972
3-(2-hydroxyethyl)-6-(4-methylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 123561717
3-methyl-6-piperidin-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 3471117
3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 3471119

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 4290639) is 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MVYASLDUNKBHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-23-16(26)14(10-11-3-2-4-12(9-11)18(19,20)21)15(22-17(23)27)24-7-5-13(25)6-8-24/h2-4,9,13,25H,5-8,10H2,1H3,(H,22,27).
What are the key properties of 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 383.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidin-1-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4290639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).