Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-(4-Methoxyphenyl)pyrimidin-2-amine |
EINECS | 604-604-1 |
CAS No. | 31408-47-6 | Density | 1.201 g/cm3 |
PSA | 61.03000 | LogP | 2.31560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H11N3O | Boiling Point | 435.6 °C at 760 mmHg |
Molecular Weight | 201.22 | Flash Point | 217.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Pyrimidine,2-amino-5-(p-methoxyphenyl)- (8CI);[5-(4-Methoxyphenyl)pyrimidin-2-yl]amine;5-(4-Methoxyphenyl)pyrimidin-2-amine; |
Article Data | 2 |
The systematic name of 5-(4-Methoxyphenyl)pyrimidin-2-amine is 5-(4-methoxyphenyl)pyrimidin-2-amine. With the CAS registry number 31408-47-6, it is also named as 2-Pyrimidinamine,5-(4-methoxyphenyl)-. In addition, its molecular formula is C11H11N3O and its molecular weight is 201.22.
The other characteristics of 5-(4-Methoxyphenyl)pyrimidin-2-amine can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.43; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 61.03 Å2; (9)Index of Refraction: 1.608; (10)Molar Refractivity: 57.94 cm3; (11)Molar Volume: 167.4 cm3; (12)Polarizability: 22.96×10-24cm3; (13)Surface Tension: 52.8 dyne/cm; (14)Density: 1.201 g/cm3; (15)Flash Point: 217.2 °C; (16)Enthalpy of Vaporization: 69.19 kJ/mol; (17)Boiling Point: 435.6 °C at 760 mmHg; (18)Vapour Pressure: 8.66E-08 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: COc1ccc(cc1)c2cnc(nc2)N
(2)InChI: InChI=1/C11H11N3O/c1-15-10-4-2-8(3-5-10)9-6-13-11(12)14-7-9/h2-7H,1H3,(H2,12,13,14)
(3)InChIKey: PKSSRSRVRREPTQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H11N3O/c1-15-10-4-2-8(3-5-10)9-6-13-11(12)14-7-9/h2-7H,1H3,(H2,12,13,14)
(5)Std. InChIKey: PKSSRSRVRREPTQ-UHFFFAOYSA-N