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54729-62-3

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Basic Information
CAS No.: 54729-62-3
Name: 6-Amino-1,3-dimethyl-5-(methylamino)-2,4(1H,3H)-pyrimidinedione
Article Data: 2
Molecular Structure:
Molecular Structure of 54729-62-3 (6-Amino-1,3-dimethyl-5-(methylamino)-2,4(1H,3H)-pyrimidinedione)
Formula: C7H12N4O2
Molecular Weight: 184.198
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;
Density: 1.33 g/cm3
Boiling Point: 261.2 °C at 760 mmHg
Flash Point: 111.8 °C
PSA: 82.05000
LogP: -0.63790
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    Molecular Formula C7H12N4O2 Molecular Weight 184.20 CAS Registry Number 54729-62-3 Name1,3-Dimethyl-5-methylamino-6-aminou…

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Specification

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