1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C12H6F3N5O4 — CID 100975565

IUPAC1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1cc(O)nc(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)[nH]1
InChIInChI=1S/C12H6F3N5O4/c13-12(14,15)5-2-1-4-8(16-5)20(11(24)19-9(4)23)10-17-6(21)3-7(22)18-10/h1-3H,(H,19,23,24)(H2,17,18,21,22)
InChIKeyUKMJMGWWWVPBOQ-UHFFFAOYSA-N
MW341.21 g/mol
LogP-0.12
Rot. Bonds1

About 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 100975565) has the molecular formula C12H6F3N5O4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID100975565
Molecular FormulaC12H6F3N5O4
Molecular Weight341.21 g/mol
Exact Mass341.04
IUPAC Name1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1cc(O)nc(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)[nH]1
InChIInChI=1S/C12H6F3N5O4/c13-12(14,15)5-2-1-4-8(16-5)20(11(24)19-9(4)23)10-17-6(21)3-7(22)18-10/h1-3H,(H,19,23,24)(H2,17,18,21,22)
InChIKeyUKMJMGWWWVPBOQ-UHFFFAOYSA-N
XLogP-0.12
TPSA133.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]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

Tcmdc-123937
CID 317953
7-(trifluoromethyl)-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 12158110
1-Benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2101204
7-(4-Methylphenyl)-1-propyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2474394
7-Phenyl-5-trifluoromethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11141313
1-(2-Methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2451919
2-methyl-N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2812456
Pyrido(2,3-d)pyrimidine-2,4(1H,3H)-dione, 7-amino-1,3-dimethyl-
CID 3040482
flupyrsulfuron-methyl TP2
CID 100975564
1-Benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2353924
8-(4-fluorophenyl)-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide
CID 15945281
3-{1,3,5,7-Tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16008671

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 100975565) is 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1cc(O)nc(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)[nH]1.
What is the InChIKey of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UKMJMGWWWVPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N5O4/c13-12(14,15)5-2-1-4-8(16-5)20(11(24)19-9(4)23)10-17-6(21)3-7(22)18-10/h1-3H,(H,19,23,24)(H2,17,18,21,22).
What are the key properties of 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 341.21 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 100975565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).