6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

C7H8F3N3O — CID 83848427

IUPAC6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(N)c1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c1-3(11)4-2-5(7(8,9)10)13-6(14)12-4/h2-3H,11H2,1H3,(H,12,13,14)
InChIKeyXYQATVSLYFONDV-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.81
Rot. Bonds1

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

6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 83848427) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID83848427
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(N)c1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c1-3(11)4-2-5(7(8,9)10)13-6(14)12-4/h2-3H,11H2,1H3,(H,12,13,14)
InChIKeyXYQATVSLYFONDV-UHFFFAOYSA-N
XLogP0.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43752778
4,6-Dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62563288
6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 82402396
6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848428
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849648
6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849649
6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83850724
6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one
CID 163979397
6-(1-aminopropyl)-1H-pyrimidin-2-one
CID 82416882
6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one
CID 82416934
6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one
CID 82418379

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 83848427) is 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is CC(N)c1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is XYQATVSLYFONDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-3(11)4-2-5(7(8,9)10)13-6(14)12-4/h2-3H,11H2,1H3,(H,12,13,14).
What are the key properties of 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 207.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83848427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).