6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

C14H19F3N4O3 — CID 56810852

IUPAC6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O3/c1-9-10(12(23)19-13(24)18-9)2-3-11(22)21-6-4-20(5-7-21)8-14(15,16)17/h2-8H2,1H3,(H2,18,19,23,24)
InChIKeyWRMABPUQJIUHJS-UHFFFAOYSA-N
MW348.33 g/mol
LogP0.01
Rot. Bonds4

About 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (PubChem CID 56810852) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
PubChem CID56810852
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Name6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O3/c1-9-10(12(23)19-13(24)18-9)2-3-11(22)21-6-4-20(5-7-21)8-14(15,16)17/h2-8H2,1H3,(H2,18,19,23,24)
InChIKeyWRMABPUQJIUHJS-UHFFFAOYSA-N
XLogP0.01
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (CID 56810852) is 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WRMABPUQJIUHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-9-10(12(23)19-13(24)18-9)2-3-11(22)21-6-4-20(5-7-21)8-14(15,16)17/h2-8H2,1H3,(H2,18,19,23,24).
What are the key properties of 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 348.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56810852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).