6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

C12H10F3N3O2 — CID 28603282

IUPAC6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-1-2-7(4-8)6-18-9(16)5-10(19)17-11(18)20/h1-5H,6,16H2,(H,17,19,20)
InChIKeyTYHRYIBWYNUWNR-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.19
Rot. Bonds2

About 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 28603282) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID28603282
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-1-2-7(4-8)6-18-9(16)5-10(19)17-11(18)20/h1-5H,6,16H2,(H,17,19,20)
InChIKeyTYHRYIBWYNUWNR-UHFFFAOYSA-N
XLogP1.19
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione 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-bromo-4-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 22327356
2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazolin-4-one
CID 56771563
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129453025
2,4-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxylic acid
CID 115114703
4-(aminomethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 115068830
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381
3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
6-(hydroxymethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009877
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 46937223

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 28603282) is 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is TYHRYIBWYNUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)8-3-1-2-7(4-8)6-18-9(16)5-10(19)17-11(18)20/h1-5H,6,16H2,(H,17,19,20).
What are the key properties of 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 285.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28603282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).