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

C13H8F3N5O4 — CID 100975564

IUPAC1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(=O)[nH]c(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)
InChIKeyBMAULBKSSUDLJE-UHFFFAOYSA-N
MW355.23 g/mol
LogP0.18
Rot. Bonds2

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

1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 100975564) has the molecular formula C13H8F3N5O4 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID100975564
Molecular FormulaC13H8F3N5O4
Molecular Weight355.23 g/mol
Exact Mass355.05
IUPAC Name1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(=O)[nH]c(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)
InChIKeyBMAULBKSSUDLJE-UHFFFAOYSA-N
XLogP0.18
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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
1-(4,6-Dihydroxypyrimidine-2-yl)-7-trifluoromethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 100975565
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
N-(4-Fluorophenyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008645

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 100975564) is 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1cc(=O)[nH]c(-n2c(=O)[nH]c(=O)c3ccc(C(F)(F)F)nc32)n1.
What is the InChIKey of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BMAULBKSSUDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24).
What are the key properties of 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 355.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 100975564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).