5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C7H8F3N3O — CID 136765451

IUPAC5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCCc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-4(1-2-11)6(14)13-3-12-5/h3H,1-2,11H2,(H,12,13,14)
InChIKeyUJABXTNTVNRALK-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.29
Rot. Bonds2

About 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136765451) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136765451
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCCc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-4(1-2-11)6(14)13-3-12-5/h3H,1-2,11H2,(H,12,13,14)
InChIKeyUJABXTNTVNRALK-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 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136765451) is 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is NCCc1c(C(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is UJABXTNTVNRALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5-4(1-2-11)6(14)13-3-12-5/h3H,1-2,11H2,(H,12,13,14).
What are the key properties of 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-(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 5-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136765451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).