1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione

C12H16F3N3O2 — CID 163345291

IUPAC1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCn1cc(N2CCC(C(F)(F)F)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16F3N3O2/c1-16-7-9(10(19)17(2)11(16)20)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeySLYVBXHFDABWFC-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.86
Rot. Bonds1

About 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione

1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 163345291) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID163345291
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCn1cc(N2CCC(C(F)(F)F)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16F3N3O2/c1-16-7-9(10(19)17(2)11(16)20)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeySLYVBXHFDABWFC-UHFFFAOYSA-N
XLogP0.86
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 163345291) is 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione is Cn1cc(N2CCC(C(F)(F)F)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is SLYVBXHFDABWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-16-7-9(10(19)17(2)11(16)20)18-5-3-8(4-6-18)12(13,14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 291.27 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 163345291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).