4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one

C12H10F3N3O2 — CID 146290985

IUPAC4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccccc2)c1NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)6-16-9-10(19)17-7-18-11(9)20-8-4-2-1-3-5-8/h1-5,7,16H,6H2,(H,17,18,19)
InChIKeyWGPGXHIZHUNIRN-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.54
Rot. Bonds4

About 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one

4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 146290985) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
PubChem CID146290985
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccccc2)c1NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)6-16-9-10(19)17-7-18-11(9)20-8-4-2-1-3-5-8/h1-5,7,16H,6H2,(H,17,18,19)
InChIKeyWGPGXHIZHUNIRN-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

6-Phenoxypyrimidin-4(1H)-one
CID 13185839
N-(2-(4-fluorophenoxy)ethyl)-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45535007
5-Fluoro-2-phenoxypyrimidin-4(3H)-one
CID 12783678
5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one
CID 103241595
5-amino-4-[4-(2,2-difluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 146290875
5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one
CID 146290975
5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride
CID 146290992
5-amino-4-[4-(2,2,2-trifluoroethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride
CID 146291006
5-amino-4-[4-fluoro-3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride
CID 146291021
5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
CID 146487356
5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride
CID 156633949
5-iodo-4-phenoxy-1H-pyrimidin-6-one
CID 13185836

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one (CID 146290985) is 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2ccccc2)c1NCC(F)(F)F.
What is the InChIKey of 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is WGPGXHIZHUNIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)6-16-9-10(19)17-7-18-11(9)20-8-4-2-1-3-5-8/h1-5,7,16H,6H2,(H,17,18,19).
What are the key properties of 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one?
4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 285.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 146290985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).