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75321-30-1

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Basic Information
CAS No.: 75321-30-1
Name: 2,5-Pyrimidinedione, 4-amino-1,6-dihydro- (9CI)
Molecular Structure:
Molecular Structure of 75321-30-1 (2,5-Pyrimidinedione, 4-amino-1,6-dihydro- (9CI))
Formula: C4H5N3O2
Molecular Weight: 127.103
Synonyms: 5-Hydroxycytosine;4-Amino-1,6-dihydropyrimidine-2,5-dione;
Density: 1.84 g/cm3
PSA: 85.54000
LogP: -1.08590
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Specification

The 2,5-Pyrimidinedione,4-amino-1,6-dihydro-, with the CAS registry number 75321-30-1, is also known as 5-Hydroxycytosine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C4H5N3O2 and molecular weight is 127.1. What's more, its systematic name is 4-amino-1,6-dihydropyrimidine-2,5-dione. 

Physical properties of 2,5-Pyrimidinedione,4-amino-1,6-dihydro- are: (1)ACD/LogP: -2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.69; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.98 Å2; (13)Index of Refraction: 1.752; (14)Molar Refractivity: 28.15 cm3; (15)Molar Volume: 68.9 cm3; (16)Polarizability: 11.1×10-24cm3; (17)Surface Tension: 89.4 dyne/cm; (18)Density: 1.84 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(=N/C(=O)NC1)\N
(2)InChI: InChI=1S/C4H5N3O2/c5-3-2(8)1-6-4(9)7-3/h1H2,(H3,5,6,7,9)
(3)InChIKey: DBNZPRXSOWIVMI-UHFFFAOYSA-N