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55441-70-8

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Basic Information
CAS No.: 55441-70-8
Name: 6-AMINO-1-METHYL-5-(METHYLAMINO)URACIL
Article Data: 5
Molecular Structure:
Molecular Structure of 55441-70-8 (6-AMINO-1-METHYL-5-(METHYLAMINO)URACIL)
Formula: C6H10N4O2
Molecular Weight: 170.171
Synonyms: 6-Amino-1-methyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione;
Density: 1.38 g/cm3
Melting Point: >300 °C
Appearance: white solid
PSA: 92.91000
LogP: -0.64830
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Specification

The 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(methylamino)-, with the CAS registry number 630421-48-6, is also known as 6-Amino-1-methyl-5-(methylamino)uracil. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C6H10N4O2 and molecular weight is 170.17. What's more, its systematic name is 6-Amino-1-methyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione. It is white solid.

Physical properties about 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(methylamino)-: (1)ACD/LogP: -2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 42.27 cm3; (15)Molar Volume: 122.7 cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Density: 1.38 g/cm3; (18)Melting point: >300 °C.

Preparation of 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(methylamino)-: it can be obtained by Methylamine and 6-Amino-5-bromo-1-methyl-1H-pyrimidine-2,4-dione. The reaction occurs with solvent H2O at temperature of 70°C for 4 hours. The yield is 70%.

4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(methylamino)- can be obtained by Methylamine and 6-Amino-5-bromo-1-methyl-1H-pyrimidine-2,4-dione

Uses of 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(methylamino)-: it is used to produce other chemicals. For example, it can react with benzoyl chloride to get 6-Amino-5-(N-benzoyl-N-methylamino)-1-methyluracil. The reaction occurs with reagent pyridine and solvent methanol at ambient temperature of 20°C for 12 hours. The yield is 73%.

4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(methylamino)- can react with benzoyl chloride to get 6-Amino-5-(N-benzoyl-N-methylamino)-1-methyluracil

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C(=C(/N)N(C(=O)N1)C)NC
(2) InChI: InChI=1/C6H10N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h8H,7H2,1-2H3,(H,9,11,12)
(3) InChIKey: VCMTXXSJNFBMBV-UHFFFAOYAL