7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C9H6F3N3O2 — CID 134987146

IUPAC7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)[nH]c2n1
InChIInChI=1S/C9H6F3N3O2/c1-3-2-4(9(10,11)12)5-6(13-3)14-8(17)15-7(5)16/h2H,1H3,(H2,13,14,15,16,17)
InChIKeyGTAFOKLMSRPXAQ-UHFFFAOYSA-N
MW245.16 g/mol
LogP0.94
Rot. Bonds

About 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 134987146) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID134987146
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)[nH]c2n1
InChIInChI=1S/C9H6F3N3O2/c1-3-2-4(9(10,11)12)5-6(13-3)14-8(17)15-7(5)16/h2H,1H3,(H2,13,14,15,16,17)
InChIKeyGTAFOKLMSRPXAQ-UHFFFAOYSA-N
XLogP0.94
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
Tcmdc-123937
CID 317953
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
2-Amino-5-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 71462296
5-Deazaflavin
CID 5376058
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
5,7-dimethyl-8-(4-propan-2-ylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide
CID 15945329

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 134987146) is 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)[nH]c2n1.
What is the InChIKey of 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GTAFOKLMSRPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c1-3-2-4(9(10,11)12)5-6(13-3)14-8(17)15-7(5)16/h2H,1H3,(H2,13,14,15,16,17).
What are the key properties of 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 245.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134987146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).