1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA: FREE) CAS#: 110181-69-6; ChemWhat Code: 257279

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA: FREE)
IUPAC Name1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
Molecular Structure17-dimethyl-24-dioxo-1234-tetrahydropyrido23-dpyrimidine-5-carboxylic-acidSALTDATA-FREE-CAS-110181-69-6
CAS Registry Number 110181-69-6
Synonyms110181-69-6
1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
1,7-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidine-5-carboxylic acid
MFCD08548408
1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA: FREE)
SBB014835
STK693355
AKOS000270725
CS-0313088
1,7-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid
1,7-dimethyl-2,4-dioxo-1,3-dihydropyridino[2,3-d]pyrimidine-5-carboxylic acid
1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid
Molecular FormulaC10H9N3O4
Molecular Weight235.2
InChIInChI=1S/C10H9N3O4/c1-4-3-5(9(15)16)6-7(11-4)13(2)10(17)12-8(6)14/h3H,1-2H3,(H,15,16)(H,12,14,17)
InChI KeyWQZIGTKHOYFYRF-UHFFFAOYSA-N
SMILESCC1=CC(=C2C(=O)NC(=O)N(C2=N1)C)C(=O)O

Physical Data

Melting Point, °C Solvent (Melting Point)
320ethanol

Spectra

1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA: FREE) CAS#: 110181-69-6 NMRHNMR of 1,7-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS 110181-69-6

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA FREE) CAS 110181-69-6
Route of Synthesis (ROS) of 1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA FREE) CAS 110181-69-6
ConditionsYield
With sodium hydroxide

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

Druglikeness
Lipinski rules component
Molecular Weight235.199
logP0.029
HBA7
HBD2
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)99.6
Rotatable Bond (RotB)1
Matching Veber Rules2
Use Pattern
1,7-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS#: 110181-69-6 is primarily used as a pharmaceutical intermediate in the synthesis of biologically active compounds.

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