CAS No.31408-47-6,5-(4-Methoxyphenyl)pyrimidin-2-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31408-47-6
Name:	5-(4-Methoxyphenyl)pyrimidin-2-amine
Article Data:	2

Formula:	C₁₁H₁₁N₃O
Molecular Weight:	201.22
Synonyms:	Pyrimidine,2-amino-5-(p-methoxyphenyl)- (8CI);[5-(4-Methoxyphenyl)pyrimidin-2-yl]amine;5-(4-Methoxyphenyl)pyrimidin-2-amine;
EINECS:	604-604-1
Density:	1.201 g/cm³
Boiling Point:	435.6 °C at 760 mmHg
Flash Point:	217.2 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	61.03000
LogP:	2.31560

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Specification

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