112735-05-4

Basic information

• Product Name: 3-(6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-YL)-3-OXO-PROPIONITRILE
• Synonyms: 3-(6-AMino-1,3-diMethyl-2,4-dioxo-1,2,3,4-tetrahydropyriMidin-5-yl)-3-oxopropanenitrile;6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-β,2,4-trioxo-5-pyrimidinepropanenitrile;6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,2,4-trioxo-5-pyrimidinepropanenitrile
• CAS NO: 112735-05-4
• Molecular Formula: C₉H₁₀N₄O₃
• Molecular Weight: 222.2
• Mol File: 112735-05-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 382.8°Cat760mmHg
• Flash Point: 185.3°C
• Appearance: /
• Density: 1.392g/cm³
• Vapor Pressure: 4.6E-06mmHg at 25°C
• Refractive Index: 1.567
• CAS DataBase Reference: 3-(6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-YL)-3-OXO-PROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-YL)-3-OXO-PROPIONITRILE(112735-05-4)
• EPA Substance Registry System: 3-(6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-YL)-3-OXO-PROPIONITRILE(112735-05-4)

Safety Data

• Hazardous Substances Data: 112735-05-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H10N4O3/c1-12-7(11)6(5(14)3-4-10)8(15)13(2)9(12)16/h3,11H2,1-2H3

Upstream product

• 6642-31-5 6-Amino-1,3-dimethylbarbituric acid 
• 372-09-8 cyanoacetic acid 

Downstream Products

• 1197179-47-7 C₁₆H₁₁BrN₄O₃ 
• 1197179-53-5 C₁₇H₁₄N₄O₄ 
• 1197179-43-3 6-cyano-1,3-dimethyl-7-phenyl-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-2,4,5-trione 
• 1197179-45-5 C₁₆H₁₁ClN₄O₃ 
• 1197179-49-9 C₁₆H₁₁FN₄O₃ 
• 1197179-51-3 C₁₇H₁₄N₄O₃ 
• 1197179-59-1 C₁₇H₁₁F₃N₄O₃ 
• 250332-68-4 methyl 1,3-dimethyl-2,4,5(1H,3H,8H)trioxo-7(triphenylphosphoranylideneamino)pyrido[2,3-d]pyrimidine-6-carboxylate 
• 250332-76-4 1,3-dimethyl-7(4'-methylphenyl)-8-methoxy-5-oximino-10H-pyrimido[5',6':5,6]pyrido[2,3-d]pyrimidine-2,4,6(1H,3H,7H)trione 
• 250332-64-0 1,3-dimethyl-7(triphenylphosphoranylidenamino)pyrido[2,3-d]pyrimidine-2,4,5(1H,3H,8H)-trione 
• 250332-72-0 1,3-dimethyl-7(4'-methylphenyl)-8-methoxypyrimido[5',6':5,6]pyrido[2,3-d]pyrimidine-2,4,5,6(1H,3H,7H,10H)tetrone 
• 117525-95-8 1,3-Dimethyl-7-amino-8H-pyrido<2,3-d>pyrimidine-2,4,5-trione 

Relevant articles and documents

Synthesis and pharmacology of pyrido[2,3-d]pyrimidinediones bearing polar substituents as adenosine receptor antagonists

Amino-substituted pyrido[2,3-d]pyrimidinediones have previously been found to bind to adenosine A1 and A2A receptors in micromolar concentrations. The present study was aimed at studying the structure-activity relationships of this c

Four products from the cyano-acetyl-ation of pyrimidines: Hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings

The mol-ecules of 2-[6-amino-3-methyl-2-(methyl-sulfanyl)-4-oxo-3,4- dihydro-pyrimidin-5-yl-carbonyl]-acetonitrile, C9H10N4O2S, (I), are linked in pairs by N - H...O hydrogen bonds to form cyclic centrosymmetric R 2 2(4) dimers. Similar dimers formed by 2-(6-amino-1,3-dimethyl-2,4- dioxo-1,2,3,4-tetra-hy-dro-pyrimidin-5-yl-carbonyl)-acetonitrile, C9H10N4O3, (II), are reinforced by paired N - H...N hydrogen bonds and linked into chains of rings by C - H...O hydrogen bonds. The mol-ecules of 2-cyano-N-[6-meth-oxy-2-(methyl-sulfanyl)-pyrimidin-4-yl]-acetamide, C9H10N4O2S, (III), are linked into simple C(6) chains by an N - H...N hydrogen bond, and the chains are weakly linked into sheets by a π-π stacking inter-action. A combination of one two-centre N - H...N hydrogen bond and one three-centre C - H...(N,O) hydrogen bond links the mol-ecules of 2-cyano-N-[6-chloro-2-(methyl-sulfanyl)-pyrimidin-4-yl]-acetamide, C8H7ClN4OS, (IV), into a chain of alternating edge-fused R 2 1(6) and R 1 2(6) rings. The crystal structures reported in this study, and those of some related examples from the recent literature, show a wide variation in hydrogen-bonded aggregation consequent upon rather small changes in molecular constitution.

Reactions of uracils, 24. Multiple anellation to uracils and their analogs - An approach to Nevirapine-type tricycles

Starting with 6-amino-1,3-dimethyluracil 1 a structural analog of the NNRTI Nevirapine 16 is synthesized in a sequence of two ring anellations and a Beckmann rearrangement. The anellation behavior of 3 is studied in general leading to the anellated systems 5, 7a-c, 12 a-c.