4-Pyrimidinol, 2-amino-5,6-dimethyl- supplier

Name
2-AMINO-5,6-DIMETHYL-4-HYDROXYPYRIMIDINE
EINECS 223-611-6
CAS No. 3977-23-9
Article Data8
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 333-337 °C(lit.)
Formula C₆H₉N₃O
Boiling Point 258.9 °C at 760 mmHg
Molecular Weight 139.157
Flash Point 110.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4(1H)-Pyrimidinone, 2-amino-5,6-dimethyl-;4 (1H)-Pyrimidinone, 2-amino-5,6-dimethyl-;4-Pyrimidinol, 2-amino-5,6-dimethyl- (8CI);2-Amino-5,6-dimethyl-1H-pyrimidin-4-one;2-Amino-5,6-dimethylpyrimidin-4(1H)-one;
PSA 72.03000
LogP 0.96240

4-Pyrimidinol, 2-amino-5,6-dimethyl- Specification

The 4-Pyrimidinol, 2-amino-5,6-dimethyl-, with the CAS registry number 3977-23-9, is also known as 2-Amino-5,6-dimethylpyrimidin-4(1H)-one. It belongs to the product categories of Pyrimidine; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Its EINECS number is 223-611-6. This chemical's molecular formula is C₆H₉N₃O and molecular weight is 139.16. What's more, its systematic name is 2-amino-5,6-dimethyl-1H-pyrimidin-4-one.

Physical properties of 4-Pyrimidinol, 2-amino-5,6-dimethyl- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.5; (8)ACD/KOC (pH 7.4): 30.17; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 36.14 cm³; (15)Molar Volume: 102.1 cm³; (16)Polarizability: 14.33×10^-24cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 110.4 °C; (20)Enthalpy of Vaporization: 49.65 kJ/mol; (21)Boiling Point: 258.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0134 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(NC(=NC1=O)N)C
(2)InChI: InChI=1S/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)
(3)InChIKey: APWRLAZEMYLHKZ-UHFFFAOYSA-N

Product Name

2-AMINO-5,6-DIMETHYL-4-HYDROXYPYRIMIDINE

4-Pyrimidinol, 2-amino-5,6-dimethyl- Specification

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