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Name |
1,3-Dimethyl-5-methylamino-6-aminouracil |
EINECS | N/A |
CAS No. | 54729-62-3 | Density | 1.33 g/cm3 |
PSA | 82.05000 | LogP | -0.63790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H12N4O2 | Boiling Point | 261.2 °C at 760 mmHg |
Molecular Weight | 184.198 | Flash Point | 111.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Uracil,6-amino-1,3-dimethyl-5-(methylamino)- (7CI);1,3-Dimethyl-5-methylamino-6-aminouracil;6-Amino-1,3-dimethyl-5-(methylamino)-2,4(1H,3H)-pyrimidinedione; |
Article Data | 2 |
The systematic name of 1,3-Dimethyl-5-methylamino-6-aminouracil is 6-amino-1,3-dimethyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione. With the CAS registry number 54729-62-3, it is also named as 2,4(1H,3H)-Pyrimidinedione,6-amino-1,3-dimethyl-5-(methylamino)-. In addition, its molecular formula is C7H12N4O2 and its molecular weight is 184.20.
The other characteristics of 1,3-Dimethyl-5-methylamino-6-aminouracil can be summarized as: (1)ACD/LogP: -1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.9; (8)ACD/KOC (pH 7.4): 4.85; (9)H bond acceptors: 6; (10)H bond donors: 3; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 47.13 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 18.68×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 111.8 °C; (20)Enthalpy of Vaporization: 49.89 kJ/mol; (21)Boiling Point: 261.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0117 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C1N(/C(=C(\C(=O)N1C)NC)N)C
(2)InChI:InChI=1/C7H12N4O2/c1-9-4-5(8)10(2)7(13)11(3)6(4)12/h9H,8H2,1-3H3
(3)InChIKey:JSXYMTQGRNHHSA-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C7H12N4O2/c1-9-4-5(8)10(2)7(13)11(3)6(4)12/h9H,8H2,1-3H3
(5)Std. InChIKey:JSXYMTQGRNHHSA-UHFFFAOYSA-N