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26279-64-1

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Basic Information
CAS No.: 26279-64-1
Name: 2,6-diamino-5H-pyrimidin-4-one
Molecular Structure:
Molecular Structure of 26279-64-1 (2,6-diamino-5H-pyrimidin-4-one)
Formula: C4H6N4O
Molecular Weight: 126.118
Synonyms: 4(1H)-Pyrimidinone,tetrahydro-2,6-diimino- (8CI);4(3H)-Pyrimidinone, tetrahydro-2,6-diimino-(6CI);
EINECS: 247-581-9
Density: 1.84 g/cm3
Boiling Point: 310.7 °C at 760 mmHg
Flash Point: 141.7 °C
PSA: 92.32000
LogP: -0.18790
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Specification

The 4(5H)-Pyrimidinone,2,6-diamino-, with the CAS registry number 26279-64-1, is also known as 2,6-Diaminopyrimidin-4(5H)-one. It belongs to the product category of Pyrimidine. Its EINECS registry number is 247-581-9. This chemical's molecular formula is C4H6N4O and molecular weight is 126.11664. What's more, its IUPAC name is called 2,6-Diamino-5H-pyrimidin-4-one.

Physical properties about 4(5H)-Pyrimidinone,2,6-diamino- are: (1)ACD/LogP: -2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.44; (4)ACD/LogD (pH 7.4): -3.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 48.27 Å2; (13)Index of Refraction: 1.798; (14)Molar Refractivity: 29.21 cm3; (15)Molar Volume: 68.4 cm3; (16)Surface Tension: 94.7 dyne/cm; (17)Density: 1.84 g/cm3; (18)Flash Point: 141.7 °C; (19)Enthalpy of Vaporization: 55.16 kJ/mol; (20)Boiling Point: 310.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00059 mmHg at 25 °C.

Uses of 4(5H)-Pyrimidinone,2,6-diamino-: it is used to produce other chemicals. For example, it is used to produce 2,6-Bis-[(furan-2-ylmethylene)-amino]-pyrimidin-4-ol. The reaction occurs with solvent methanol and other condition of heating. The yield is 65 %.

4(5H)-Pyrimidinone,2,6-diamino- is used to produce 2,6-Bis-[(furan-2-ylmethylene)-amino]-pyrimidin-4-ol.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/N=C(\N=C(\N)C1)N
(2) InChI: InChI=1/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H2,(H4,5,6,7,8,9)
(3) InChIKey: CHSXGZHOMKSJNB-UHFFFAOYAA