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4-Pyrimidinamine,2-methoxy-

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Name

4-Pyrimidinamine,2-methoxy-

EINECS N/A
CAS No. 3289-47-2 Density 1.224 g/cm3
PSA 61.03000 LogP 0.64860
Solubility N/A Melting Point 174 °C
Formula C5H7N3O Boiling Point 294.4 °C at 760 mmHg
Molecular Weight 125.13 Flash Point 131.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 22-36-36/37/38-20/21/22
Molecular Structure Molecular Structure of 3289-47-2 (4-Pyrimidinamine, 2-methoxy- (9CI)) Hazard Symbols Xn
Synonyms

Pyrimidine,4-amino-2-methoxy- (6CI,7CI,8CI);2-Methoxy-4-pyrimidinamine;2-Methoxycytosine;2-O-Methylcytosine;4-Amino-2-methoxypyrimidine;

Article Data 18

4-Pyrimidinamine,2-methoxy- Specification

The 4-Pyrimidinamine,2-methoxy-, with the CAS registry number 3289-47-2, is also known as 2-Methoxy-pyrimidin-4-ylamine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H7N3O and molecular weight is 125.12858. What's more, its IUPAC name and systematic name are the same which is called 2-Methoxypyrimidin-4-amine.

Physical properties about 4-Pyrimidinamine,2-methoxy-: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.82; (8)ACD/KOC (pH 7.4): 6.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.25 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 33.35 cm3; (15)Molar Volume: 102.1 cm3; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.224 g/cm3; (18)Flash Point: 131.9 °C; (19)Enthalpy of Vaporization: 53.41 kJ/mol; (20)Boiling Point: 294.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00162 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1nc(N)ccn1)C
(2)InChI: InChI=1/C5H7N3O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)
(3)InChIKey: DHYLZDVDOQLEAQ-UHFFFAOYAR

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