4,6-Diamino-2-mercaptopyrimidine
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4,6-Diamino-2-mercaptopyrimidine
structure -
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CAS No:
1004-39-3
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Formula:
C4H6N4S
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Chemical Name:
4,6-Diamino-2-mercaptopyrimidine
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Synonyms:
2(1H)-Pyrimidinethione,4,6-diamino-;2-Pyrimidinethiol,4,6-diamino-;4,6-Diamino-2(1H)-pyrimidinethione;4,6-Diamino-2-thiopyrimidine;4,6-Diamino-2-mercaptopyrimidine;2-Mercapto-4,6-diaminopyrimidine;4,6-Diamino-2-pyrimidinethiol;2-Thio-6-aminocytosine;4,6-Diamino-1,2-dihydro-2-thioxopyrimidine;4,6-Diaminopyrimidine-2-thione;4,6-Diamino-2-thiouracil;NSC 1586;NSC 680831;4,6-Diamino-1H-pyrimidine-2-thione;4,6-Diaminopyrimidine-2(1H)-thione;108766-37-6;3647-46-9
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CAS No:
4,6-Diamino-2-mercaptopyrimidine Basic Attributes
142.18
142.18
124937
213-721-2
0VP6I0FY3O
680831|1586
DTXSID8061395
2933 59 95
Characteristics
109
-1.2
Brown-Grey Solid
1.78±0.1 g/cm3(Predicted)
>360 °C
289.1±43.0 °C(Predicted)
234.7±29.6 °C
1.781
1 M NaOH: soluble2%
Store below +30°C.
2.77E-07mmHg at 25°C
Safety Information
3
36/37/38
26-36/37/39
MB7660000
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,6-Diamino-2-mercaptopyrimidine Use and Manufacturing
Sodium methoxide (540 g, 9.98 mol) was added to 2 L of methanol, Thiourea (190 g, 2.50 mol) and malononitrile (412 g, 6.24 mol) were added in succession.Stir for 30 h at 40 °C.Decrease to room temperature, filter, filter cake dissolved with 3.5L water, Acetic acid was adjusted to pH~7, filtered, and dried to give 334 g of a pale yellow solid with a yield of 94percent.Sodium methoxide (540 g, 9.98 mol) was added to 2 L of methanol, thiourea (190 g, 2.50 mol) and malononitrile (412 g, 6.24 mol) were added in that order, and stirred at 40° C. for 30 h.Decrease to room temperature, filter, filter cake dissolved with 3.5L water, acetic acid to adjust the pH ~ 7, It was filtered and dried to give 334 g of a pale yellow solid with a yield of 94percent.75 g of sodium ethoxide, 80 g of thiourea and 66 g of malononitrile were added to a 1000 mL three-necked flask, Add 500 mL of absolute ethanol, Stir, Heated to boilingReflux2h.Stop heating.After cooling, To give 4, 6-diamino-2-mercaptopyrimidine cake, Directly into the next step in the reaction.The yield was 75percent based on malononitrile.
2-Thioadenosine derivatives have been known to exhibit several pharmacological activities such as platelet aggregation inhibition and coronary vasodilation
2(1H)-Pyrimidinethione, 4,6-diamino-: ACTIVE
Computed Properties
Molecular Weight:142.19
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Exact Mass:142.03131738
Monoisotopic Mass:142.03131738
Topological Polar Surface Area:109
Heavy Atom Count:9
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,6-Diamino-2-mercaptopyrimidine
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