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21823-25-6

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Basic Information
CAS No.: 21823-25-6
Name: 2-Amino-5-ureido-4,6-pyrimidinedione
Molecular Structure:
Molecular Structure of 21823-25-6 (2-Amino-5-ureido-4,6-pyrimidinedione)
Formula: C5H7N5O3
Molecular Weight: 185.142
Synonyms: 1-(2-Amino-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-5-yl)urea;
Density: 2.2 g/cm3
Melting Point: >400°C
PSA: 145.14000
LogP: -1.23970
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Specification

The CAS registry number of 2-Amino-5-ureido-4,6-pyrimidinedione is 21823-25-6. The systematic name is 1-(2-amino-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-5-yl)urea. In addition, the molecular formula is C5H7N5O3 and the molecular weight is 185.14. What's more, it is a kind of off-white solid and belongs to the classes of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. And it should be stored in a cool and dry place.

Physical properties about 2-Amino-5-ureido-4,6-pyrimidinedione are: (1)ACD/LogP: -3.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.32; (4)ACD/LogD (pH 7.4): -3.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 76.53 Å2; (13)Index of Refraction: 1.882; (14)Molar Refractivity: 38.58 cm3; (15)Molar Volume: 84 cm3; (16)Polarizability: 15.29 ×10-24cm3; (17)Surface Tension: 128.6 dyne/cm; (18)Density: 2.2 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(\NC(=O)C1NC(=O)N)N
(2)InChI: InChI=1/C5H7N5O3/c6-4-9-2(11)1(3(12)10-4)8-5(7)13/h1H,(H3,7,8,13)(H3,6,9,10,11,12)
(3)InChIKey: NCULITOVIKCFNW-UHFFFAOYAH