CAS No.100643-27-4,4-Pyrimidinol, 2,6-diamino- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100643-27-4
Name:	4-Pyrimidinol, 2,6-diamino- (9CI)
Article Data:	10

Formula:	C₄H₆N₄O
Molecular Weight:	126.118
Synonyms:	2-[(benzyloxy)methyl]oxirane;2,6-Diamino-4-hydroxyPyrimidine;2,6-Diaminopyrimidin-4-ol;4-PYRIMIDINOL,2,6-DIAMINO-;
Density:	1.84 g/cm³
Boiling Point:	288.5 °C at 760 mmHg
Flash Point:	128.3 °C
PSA:	97.79000
LogP:	0.09670

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Specification

The 4-Pyrimidinol,2,6-diamino- is an organic compound with the formula C₄H₆N₄O. The systematic name of this chemical is 2,6-diaminopyrimidin-4(1H)-one. With the CAS registry number 100643-27-4, it is also named as 2,4-Diamino-6-pyrimidinone. The product's categories are Pyrimidine; Pyrimidines.

Physical properties about 4-Pyrimidinol,2,6-diamino- are: (1)ACD/LogP: -1.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 2.98; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.15 Å²; (13)Index of Refraction: 1.798; (14)Molar Refractivity: 29.21 cm³; (15)Molar Volume: 68.4 cm³; (16)Polarizability: 11.58×10^-24cm³; (17)Surface Tension: 94.7 dyne/cm; (18)Density: 1.84 g/cm³; (19)Flash Point: 128.3 °C; (20)Enthalpy of Vaporization: 52.78 kJ/mol; (21)Boiling Point: 288.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00232 mmHg at 25°C.

Uses of 4-Pyrimidinol,2,6-diamino-: it can be used to produce 2,6-bis-(benzylidene-amino)-pyrimidin-4-ol by heating. It will need solvent methanol with reaction time of 6 hours. The yield is about 62%.

4-Pyrimidinol,2,6-diamino- and benzaldehyde can be used to produce 2,6-bis-(benzylidene-amino)-pyrimidin-4-ol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/N=C(/N)NC(\N)=C\1
(2)InChI: InChI=1/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
(3)InChIKey: SWELIMKTDYHAOY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
(5)Std. InChIKey: SWELIMKTDYHAOY-UHFFFAOYSA-N