1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione

C17H15F4N3O2Si — CID 134115985

IUPAC1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESC=C[Si](C)(C)C#Cc1ccc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)cc1F
InChIInChI=1S/C17H15F4N3O2Si/c1-4-27(2,3)8-7-11-5-6-12(9-13(11)18)23-15(25)10-14(17(19,20)21)24(22)16(23)26/h4-6,9-10H,1,22H2,2-3H3
InChIKeyYTNUINLXYSWVCG-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.20
Rot. Bonds2

About 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione

1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 134115985) has the molecular formula C17H15F4N3O2Si and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID134115985
Molecular FormulaC17H15F4N3O2Si
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC Name1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESC=C[Si](C)(C)C#Cc1ccc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)cc1F
InChIInChI=1S/C17H15F4N3O2Si/c1-4-27(2,3)8-7-11-5-6-12(9-13(11)18)23-15(25)10-14(17(19,20)21)24(22)16(23)26/h4-6,9-10H,1,22H2,2-3H3
InChIKeyYTNUINLXYSWVCG-UHFFFAOYSA-N
XLogP2.20
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(3,5-difluoro-4-hept-1-ynylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 134109464
1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707576
1-amino-3-[4-chloro-3-(2-methoxyethyl)phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 54104653
3-[3,5-difluoro-4-(2-trimethylsilylethynyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 134115794
1-amino-3-[4-chloro-3-[(E)-ethoxyiminomethyl]phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21462902
1-amino-3-(6-fluoro-2-oxo-1-prop-2-ynylquinolin-7-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 102121373
3-(3-ethenyl-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20634302
4-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-fluoro-2-methoxybenzenecarbothioamide
CID 59900054
N-[5-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-cyano-4-fluorophenyl]-N-methylethanesulfonamide
CID 162576610
1-amino-3-[4-chloro-2-fluoro-5-[[3,5,6-trichloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 12056483
3-[2-fluoro-5-methoxy-4-(2-trimethylsilylethynyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265638
1-amino-3-[4-chloro-5-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 12056477

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 134115985) is 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione is C=C[Si](C)(C)C#Cc1ccc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)cc1F.
What is the InChIKey of 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is YTNUINLXYSWVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2Si/c1-4-27(2,3)8-7-11-5-6-12(9-13(11)18)23-15(25)10-14(17(19,20)21)24(22)16(23)26/h4-6,9-10H,1,22H2,2-3H3.
What are the key properties of 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 397.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-[2-[ethenyl(dimethyl)silyl]ethynyl]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 134115985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).