Name: 4(1H)-Pyrimidinone, 2-amino-6-ethyl- (9CI)
SKU: 5734-66-7

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Basic Information

Molecular Structure:
CAS No.:	5734-66-7
Name:	4(1H)-Pyrimidinone, 2-amino-6-ethyl- (9CI)
Article Data:	9

Formula:	C₆H₉N₃O
Molecular Weight:	139.157
Synonyms:	4(1H)-Pyrimidinone,2-amino-6-ethyl- (9CI);4-Pyrimidinol, 2-amino-6-ethyl- (7CI,8CI);2-Amino-6-ethylpyrimidin-4-ol;6-Ethylisocytosine;
Density:	1.272 g/cm³
Melting Point:	243-245 °C (decomp)
Boiling Point:	384.821 °C at 760 mmHg
Flash Point:	186.533 °C
PSA:	72.03000
LogP:	0.90800

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Specification

The 2-Amino-6-ethylpyrimidin-4-ol with the CAS number 5734-66-7 is also called 4(3H)-Pyrimidinone,2-amino-6-ethyl-. Its molecular formula is C₆H₉N₃O. This chemical belongs to the following product categories: (1)PYRIMIDINE; (2)Drug Intermediates. It is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 28; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.03 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 38.102 cm³; (15)Molar Volume: 109.408 cm³; (16)Polarizability: 15.105×10^-24cm³; (17)Surface Tension: 66.995 dyne/cm; (18)Enthalpy of Vaporization: 65.834 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/N=C(\N\C(=C\1)CC)N
(2)InChI: InChI=1/C6H9N3O/c1-2-4-3-5(10)9-6(7)8-4/h3H,2H2,1H3,(H3,7,8,9,10)
(3)InChIKey: QDSSWFSXBZSFQO-UHFFFAOYAX