2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one

C15H21F3N4O2 — CID 138992092

IUPAC2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCC(=O)N2CCN(CC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H21F3N4O2/c1-10-12(14(24)20-11(2)19-10)3-4-13(23)22-7-5-21(6-8-22)9-15(16,17)18/h3-9H2,1-2H3,(H,19,20,24)
InChIKeyVXIUOEZROWELHZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.03
Rot. Bonds4

About 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one (PubChem CID 138992092) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one
PubChem CID138992092
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCC(=O)N2CCN(CC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H21F3N4O2/c1-10-12(14(24)20-11(2)19-10)3-4-13(23)22-7-5-21(6-8-22)9-15(16,17)18/h3-9H2,1-2H3,(H,19,20,24)
InChIKeyVXIUOEZROWELHZ-UHFFFAOYSA-N
XLogP1.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one (CID 138992092) is 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CCC(=O)N2CCN(CC(F)(F)F)CC2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one?
The InChIKey is VXIUOEZROWELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10-12(14(24)20-11(2)19-10)3-4-13(23)22-7-5-21(6-8-22)9-15(16,17)18/h3-9H2,1-2H3,(H,19,20,24).
What are the key properties of 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one has a molecular weight of 346.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138992092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).