2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C12H17F3N4O — CID 136741369

IUPAC2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-3-18-4-6-19(7-5-18)11-16-9(12(13,14)15)8-10(20)17-11/h8H,2-7H2,1H3,(H,16,17,20)
InChIKeyLCCRSGIIYMUJGO-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.32
Rot. Bonds3

About 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741369) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741369
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-3-18-4-6-19(7-5-18)11-16-9(12(13,14)15)8-10(20)17-11/h8H,2-7H2,1H3,(H,16,17,20)
InChIKeyLCCRSGIIYMUJGO-UHFFFAOYSA-N
XLogP1.32
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741369) is 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCCN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is LCCRSGIIYMUJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-3-18-4-6-19(7-5-18)11-16-9(12(13,14)15)8-10(20)17-11/h8H,2-7H2,1H3,(H,16,17,20).
What are the key properties of 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 290.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).