The 2,4(1H,3H)-Pyrimidinedione,5-(methylamino)-, with the CAS registry number 7577-92-6, is also known as NSC81178. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H7N3O2 and molecular weight is 141.12798. Its IUPAC name is called 5-(methylamino)-1H-pyrimidine-2,4-dione.
Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-(methylamino)-: (1)ACD/LogP: -0.95; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.22; (5)ACD/KOC (pH 7.4): 7.21; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 34.01 cm3; (11)Molar Volume: 103.6 cm3; (12)Surface Tension: 52.8 dyne/cm; (13)Density: 1.36 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(\NC)=C/NC(=O)N1
(2)InChI: InChI=1/C5H7N3O2/c1-6-3-2-7-5(10)8-4(3)9/h2,6H,1H3,(H2,7,8,9,10)
(3)InChIKey: DYRPKHXNULRIQL-UHFFFAOYAC
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