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

C7H8F3N3O — CID 135905323

IUPAC2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCCc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11/h3H,1-2,11H2,(H,12,13,14)
InChIKeySLWGUDIOCDRRQB-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.29
Rot. Bonds2

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

2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135905323) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135905323
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCCc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11/h3H,1-2,11H2,(H,12,13,14)
InChIKeySLWGUDIOCDRRQB-UHFFFAOYSA-N
XLogP0.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135905323) is 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is NCCc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is SLWGUDIOCDRRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11/h3H,1-2,11H2,(H,12,13,14).
What are the key properties of 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 207.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135905323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).