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

C11H8F3N3O — CID 117260743

IUPAC2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-4-2-1-3-6(8)7-5-16-10(15)17-9(7)18/h1-5H,(H3,15,16,17,18)
InChIKeyOBMJRPJNCIYTER-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.04
Rot. Bonds1

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

2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 117260743) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID117260743
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-4-2-1-3-6(8)7-5-16-10(15)17-9(7)18/h1-5H,(H3,15,16,17,18)
InChIKeyOBMJRPJNCIYTER-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

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Related Compounds

2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one
CID 174822428
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091890
2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 57283672
3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 133091756
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
CID 133091981
2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 117260612
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
3-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 69026601
2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
CID 117260610

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 117260743) is 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is Nc1ncc(-c2ccccc2C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is OBMJRPJNCIYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-4-2-1-3-6(8)7-5-16-10(15)17-9(7)18/h1-5H,(H3,15,16,17,18).
What are the key properties of 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-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 2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 117260743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).