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

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Name

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

EINECS 223-611-6
CAS No. 3977-23-9 Density 1.36 g/cm3
PSA 72.03000 LogP 0.96240
Solubility N/A 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 N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3977-23-9 (2-AMINO-5,6-DIMETHYL-4-HYDROXYPYRIMIDINE) Hazard Symbols IrritantXi
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;

Article Data 8

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

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