3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C18H25F3N4O2 — CID 134160526

IUPAC3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1ncnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)c1C
InChIInChI=1S/C18H25F3N4O2/c1-12-13(2)22-11-23-16(12)27-9-14-3-6-24(7-4-14)15-5-8-25(17(15)26)10-18(19,20)21/h11,14-15H,3-10H2,1-2H3
InChIKeyBYELUWONEWZQJF-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.35
Rot. Bonds5

About 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 134160526) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID134160526
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1ncnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)c1C
InChIInChI=1S/C18H25F3N4O2/c1-12-13(2)22-11-23-16(12)27-9-14-3-6-24(7-4-14)15-5-8-25(17(15)26)10-18(19,20)21/h11,14-15H,3-10H2,1-2H3
InChIKeyBYELUWONEWZQJF-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)ethyl]pyrrolidin-2-one
CID 134160466
1-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)-4,4,4-trifluorobutan-1-one
CID 134160583
4,4,4-Trifluoro-1-(4-{[(6-methylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)butan-1-one
CID 134160584
1-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)-2-methoxyethan-1-one
CID 134160668
[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 86905452
2-((4-(((5,6-Dimethylpyrimidin-4-yl)oxy)methyl)piperidin-1-yl)methyl)-5-methyl-1,3,4-oxadiazole
CID 132450747
4,5-Dimethyl-6-{[1-(oxolane-3-carbonyl)piperidin-4-yl]methoxy}pyrimidine
CID 132450801
6-(4-(((5,6-dimethylpyrimidin-4-yl)oxy)methyl)piperidin-1-yl)-3-methylpyrimidin-4(3H)-one
CID 132451229
4,5-Dimethyl-6-((1-(pyrrolidin-1-ylsulfonyl)piperidin-4-yl)methoxy)pyrimidine
CID 132451694
2-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)acetamide
CID 134160440
1-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)ethan-1-one
CID 134160503
4-{[1-(2,2-Dimethylcyclopropanecarbonyl)piperidin-4-yl]methoxy}-5,6-dimethylpyrimidine
CID 134160637

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 134160526) is 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cc1ncnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)c1C.
What is the InChIKey of 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is BYELUWONEWZQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-12-13(2)22-11-23-16(12)27-9-14-3-6-24(7-4-14)15-5-8-25(17(15)26)10-18(19,20)21/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 386.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 134160526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).