The 2, 4(1H, 3H)-Pyrimidinedione, 6-(methylamino)-, with the CAS registry number of 34284-87-2, is also known as 6-Methylaminouracil and 2, 4(1H, 3H)-Pyrimidinedione, 6-(methylamino)- (9CI). It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H7N3O2 and molecular weight is 141.13. What's more, its IUPAC name is 6-(Methylamino)-1H-pyrimidine-2, 4-dione.
Physical properties about 2, 4(1H, 3H)-Pyrimidinedione, 6-(methylamino)- are: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.7; (6)ACD/KOC (pH 7.4): 5.56; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 43.86 Å2; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 34.01 cm3; (13)Molar Volume: 103.6 cm3; (14)Polarizability: 13.48×10-24 cm3; (15)Surface Tension: 52.8 dyne/cm; (16)Density: 1.36 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NC(/NC)=C\C(=O)N1
(2) InChI: InChI=1/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H,1H3,(H3,6,7,8,9,10)
(3) InChIKey: ISUVRRPGXQIRDM-UHFFFAOYAU
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