4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one

C12H10F3N3O — CID 165114094

IUPAC4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one
SMILESNc1cc(C(F)(F)F)n(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-6-10(16)17-11(19)18(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,17,19)
InChIKeyWYFULLKIPYUHMM-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one

4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one (PubChem CID 165114094) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one
PubChem CID165114094
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one
SMILESNc1cc(C(F)(F)F)n(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-6-10(16)17-11(19)18(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,17,19)
InChIKeyWYFULLKIPYUHMM-UHFFFAOYSA-N
XLogP1.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one (CID 165114094) is 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one is Nc1cc(C(F)(F)F)n(Cc2ccccc2)c(=O)n1.
What is the InChIKey of 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is WYFULLKIPYUHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)9-6-10(16)17-11(19)18(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,17,19).
What are the key properties of 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one?
4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 269.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-6-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 165114094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).