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

C15H21F3N4O3 — CID 46801608

IUPAC6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione
SMILESCC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N4O3/c1-8(22-6-4-5-9(7-22)15(16,17)18)11(23)10-12(19)20(2)14(25)21(3)13(10)24/h8-9H,4-7,19H2,1-3H3
InChIKeyJIVGYFZFLGISJT-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.51
Rot. Bonds3

About 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione (PubChem CID 46801608) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione
PubChem CID46801608
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Name6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione
SMILESCC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N4O3/c1-8(22-6-4-5-9(7-22)15(16,17)18)11(23)10-12(19)20(2)14(25)21(3)13(10)24/h8-9H,4-7,19H2,1-3H3
InChIKeyJIVGYFZFLGISJT-UHFFFAOYSA-N
XLogP0.51
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione (CID 46801608) is 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione is CC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione?
The InChIKey is JIVGYFZFLGISJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-8(22-6-4-5-9(7-22)15(16,17)18)11(23)10-12(19)20(2)14(25)21(3)13(10)24/h8-9H,4-7,19H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione has a molecular weight of 362.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 46801608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).