2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C13H19F3N4O — CID 137009570

IUPAC2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(CC(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19F3N4O/c1-9(2)12-17-10(7-11(21)18-12)20-5-3-19(4-6-20)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,21)
InChIKeyZAVFIZJNOCBMTE-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.58
Rot. Bonds3

About 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one

2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009570) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009570
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(CC(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19F3N4O/c1-9(2)12-17-10(7-11(21)18-12)20-5-3-19(4-6-20)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,21)
InChIKeyZAVFIZJNOCBMTE-UHFFFAOYSA-N
XLogP1.58
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137009570) is 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(CC(F)(F)F)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZAVFIZJNOCBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9(2)12-17-10(7-11(21)18-12)20-5-3-19(4-6-20)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,21).
What are the key properties of 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 304.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).