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CAS No.: | 6702-72-3 |
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Name: | 6-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H15N3O2 |
Molecular Weight: | 209.248 |
Synonyms: | Uracil, 6-(cyclohexylamino)-(7CI,8CI);6-(Cyclohexylamino)uracil;GW 18B;NSC 210490; |
Density: | 1.24 g/cm3 |
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The 2,4(1H,3H)-Pyrimidinedione, 6-(cyclohexylamino)-, also known as NSC210490, is an organic compound with the formula C10H15N3O2. With the CAS registry number 6702-72-3, its IUPAC name is 6-(cyclohexylamino)-1H-pyrimidine-2,4-dione.
Physical properties of 2,4(1H,3H)-Pyrimidinedione, 6-(cyclohexylamino)-: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 4.05; (5)ACD/BCF (pH 7.4): 3.95; (6)ACD/KOC (pH 5.5): 94.51; (7)ACD/KOC (pH 7.4): 92.22; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 55.1 cm3; (13)Molar Volume: 167.7 cm3; (14)Surface Tension: 51.1 dyne/cm; (15)Density: 1.24 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)NC2=CC(=O)NC(=O)N2
(2)InChI: InChI=1S/C10H15N3O2/c14-9-6-8(12-10(15)13-9)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,11,12,13,14,15)
(3)InChIKey: BLMAMCMBWRAEOF-UHFFFAOYSA-N