Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4(3H)-Pyrimidinone,2-amino-5-iodo-6-phenyl- |
EINECS | N/A |
CAS No. | 72943-43-2 | Density | 1.98 g/cm3 |
PSA | 71.77000 | LogP | 2.20490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8IN3O | Boiling Point | 405.9 °C at 760 mmHg |
Molecular Weight | 313.098 | Flash Point | 199.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4(1H)-Pyrimidinone,2-amino-5-iodo-6-phenyl- (9CI);2-Amino-5-iodo-6-phenyl-4(1H)-pyrimidinone;2-Amino-5-iodo-6-phenyl-4(3H)-pyrimidinone;2-Amino-5-iodo-6-phenyl-4-pyrimidinol;2-Amino-5-iodo-6-phenyl-4-pyrimidinone;5-Iodo-6-phenylisocytosine;PNU 54462;U 54462; |
Article Data | 2 |
The 4(3H)-Pyrimidinone,2-amino-5-iodo-6-phenyl-, with the CAS registry number 72943-43-2, is also known as 2-Amino-5-iodo-6-phenyl-4(1H)-pyrimidinone. This chemical's molecular formula is C10H8IN3O and molecular weight is 313.09449. What's more, its systematic name is called 2-Amino-5-iodo-6-phenylpyrimidin-4(1H)-one.
Physical properties about 4(3H)-Pyrimidinone,2-amino-5-iodo-6-phenyl- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 21.4; (6)ACD/BCF (pH 7.4): 13.43; (7)ACD/KOC (pH 5.5): 311.12; (8)ACD/KOC (pH 7.4): 195.27; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.91 Å2; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 65.05 cm3; (15)Molar Volume: 157.6 cm3; (16)Surface Tension: 64 dyne/cm; (17)Density: 1.98 g/cm3; (18)Flash Point: 199.3 °C; (19)Enthalpy of Vaporization: 65.76 kJ/mol; (20)Boiling Point: 405.9 °C at 760 mmHg; (21)Vapour Pressure: 8.45E-07 mmHg at 25 °C.
Uses of 4(3H)-Pyrimidinone,2-amino-5-iodo-6-phenyl-: it is used to produce other chemicals. For example, it is used to produce 2-(Acetylamino)-5-iodo-6-phenyl-4(3H)-pyrimidinone. The reaction yield is 71 % under heating for 2 hours.
You can still convert the following datas into molecular structure:
(1) SMILES: I\C2=C(/c1ccccc1)N\C(=N/C2=O)N
(2) InChI: InChI=1/C10H8IN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
(3) InChIKey: JBQRDRKWCBEQKP-UHFFFAOYAK