1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

C13H16F3N3O3 — CID 71817775

IUPAC1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCn1c(N2CCCCC2)c(C(=O)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-17-10(19-6-4-3-5-7-19)8(9(20)13(14,15)16)11(21)18(2)12(17)22/h3-7H2,1-2H3
InChIKeyHJOLYAIRRLMGPR-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.82
Rot. Bonds2

About 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (PubChem CID 71817775) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
PubChem CID71817775
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCn1c(N2CCCCC2)c(C(=O)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-17-10(19-6-4-3-5-7-19)8(9(20)13(14,15)16)11(21)18(2)12(17)22/h3-7H2,1-2H3
InChIKeyHJOLYAIRRLMGPR-UHFFFAOYSA-N
XLogP0.82
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-propyl-5-(trifluoroacetyl)pyrimidine-2,4(1H,3H)-dione
CID 2402663
6-Amino-1-propyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 17561138
6-amino-1-propyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25941654
6-amino-1-propyl-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25941656
6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 27224254
6-amino-1,3-dimethyl-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 27224256
1,3-Dimethyl-5-(3,3,3-trifluoropropanoyl)pyrimidine-2,4-dione
CID 43161201
6-Amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 45794312
6-Amino-1-ethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 45795878
5-Acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
CID 80649445
5-Acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 80649874
5-Acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 80649965

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (CID 71817775) is 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is Cn1c(N2CCCCC2)c(C(=O)C(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The InChIKey is HJOLYAIRRLMGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-17-10(19-6-4-3-5-7-19)8(9(20)13(14,15)16)11(21)18(2)12(17)22/h3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione has a molecular weight of 319.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-piperidin-1-yl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 71817775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).