2-Amino-6-(benzylamino)-1H-pyrimidin-4-one supplier

Name
2-amino-6-(benzylamino)pyrimidin-4(3H)-one
EINECS
CAS No. 60308-49-8
Article Data7
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₄O
Boiling Point 417.3 °C at 760 mmHg
Molecular Weight 216.24
Flash Point 206.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-amino-6-(benzylamino)pyrimidin-4-ol; 4(3H)-pyrimidinone, 2-amino-6-[(phenylmethyl)amino]-; 4-pyrimidinol, 2-amino-6-[(phenylmethyl)amino]-
PSA
LogP

2-Amino-6-(benzylamino)-1H-pyrimidin-4-one Specification

This chemical is called 2-Amino-6-(benzylamino)-1H-pyrimidin-4-one, and its CAS registry number is 60308-49-8. With the molecular formula of C₁₁H₁₂N₄O, its molecular weight is 216.24.

Other characteristics of the 2-Amino-6-(benzylamino)-1H-pyrimidin-4-one can be summarised as followings: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.96; (6)ACD/BCF (pH 7.4): 1.97; (7)ACD/KOC (pH 5.5): 56.37; (8)ACD/KOC (pH 7.4): 56.51; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.15 Å²; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 60.06 cm³; (15)Molar Volume: 160.8 cm³; (16)Polarizability: 23.81×10^-24cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 206.2 °C; (20)Enthalpy of Vaporization: 67.07 kJ/mol; (21)Boiling Point: 417.3 °C at 760 mmHg; (22)Vapour Pressure: 3.58E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C/2/N=C(\NC(\NCc1ccccc1)=C\2)N
2.InChI: InChI=1/C11H12N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15,16)
3.InChIKey: AMUUMZBZKZBKPH-UHFFFAOYAG

Product Name

2-amino-6-(benzylamino)pyrimidin-4(3H)-one

2-Amino-6-(benzylamino)-1H-pyrimidin-4-one Specification

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