6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione

C16H10F3N3O2 — CID 132541991

IUPAC6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH]1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)10-4-1-9(2-5-10)3-6-11-7-8-12-13(20-11)14(23)22-15(24)21-12/h1-8H,(H2,21,22,23,24)/b6-3+
InChIKeyNAJQWEDZRVHTQX-ZZXKWVIFSA-N
MW333.27 g/mol
LogP2.80
Rot. Bonds2

About 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione

6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 132541991) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID132541991
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH]1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)10-4-1-9(2-5-10)3-6-11-7-8-12-13(20-11)14(23)22-15(24)21-12/h1-8H,(H2,21,22,23,24)/b6-3+
InChIKeyNAJQWEDZRVHTQX-ZZXKWVIFSA-N
XLogP2.80
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

4-fluoro-N-[(2,4,6-trimethylpyridin-3-yl)carbamoyl]benzamide
CID 718054
3-fluoro-N-[(2,4,6-trimethylpyridin-3-yl)carbamoyl]benzamide
CID 718560
7-Phenyl-5-trifluoromethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11141313
2499-96-9
CID 273240
2-(3-benzyl-2,4-dioxo-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl)-N-(2,4-difluorophenyl)acetamide
CID 18569389
3-(4-methylbenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 20994638
2-(2,4-dioxoquinazolin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 29431900
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 3441163
N-[(4-fluorophenyl)methyl]-2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetamide
CID 27505333
N-[(4-fluorophenyl)methyl]-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetamide
CID 27555493
2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-phenylacetamide
CID 27564314
3-(trifluoromethyl)-N-[(2,4,6-trimethylpyridin-3-yl)carbamoyl]benzamide
CID 1520450

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 132541991) is 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH]1.
What is the InChIKey of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is NAJQWEDZRVHTQX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)10-4-1-9(2-5-10)3-6-11-7-8-12-13(20-11)14(23)22-15(24)21-12/h1-8H,(H2,21,22,23,24)/b6-3+.
What are the key properties of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 333.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 132541991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).