4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one

C11H8F3N3O — CID 155144682

IUPAC4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-6-17(10(18)16-9(8)15)7-4-2-1-3-5-7/h1-6H,(H2,15,16,18)
InChIKeyNSPDUUKHXXLHDX-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.83
Rot. Bonds1

About 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one

4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one (PubChem CID 155144682) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one
PubChem CID155144682
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-6-17(10(18)16-9(8)15)7-4-2-1-3-5-7/h1-6H,(H2,15,16,18)
InChIKeyNSPDUUKHXXLHDX-UHFFFAOYSA-N
XLogP1.83
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one (CID 155144682) is 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one is Nc1nc(=O)n(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is NSPDUUKHXXLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-6-17(10(18)16-9(8)15)7-4-2-1-3-5-7/h1-6H,(H2,15,16,18).
What are the key properties of 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one?
4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 255.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenyl-5-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 155144682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).