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

C11H8F3N3O — CID 28812053

IUPAC4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNc1nc(=O)[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-7(6-4-2-1-3-5-6)9(15)17-10(18)16-8/h1-5H,(H3,15,16,17,18)
InChIKeyMNCHHESNYVAZLB-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.04
Rot. Bonds1

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

4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 28812053) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID28812053
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNc1nc(=O)[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-7(6-4-2-1-3-5-6)9(15)17-10(18)16-8/h1-5H,(H3,15,16,17,18)
InChIKeyMNCHHESNYVAZLB-UHFFFAOYSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 28812053) is 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one is Nc1nc(=O)[nH]c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is MNCHHESNYVAZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-7(6-4-2-1-3-5-6)9(15)17-10(18)16-8/h1-5H,(H3,15,16,17,18).
What are the key properties of 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 255.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenyl-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 28812053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).