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5,6-Diaminouracil

5,6-Diaminouracil structure

CAS No:
3240-72-0
Formula:
C4H6N4O2
Chemical Name:
5,6-Diaminouracil
Synonyms:
2,4(1H,3H)-Pyrimidinedione,5,6-diamino-;Uracil,5,6-diamino-;5,6-Diamino-2,4(1H,3H)-pyrimidinedione;5,6-Diaminouracil;5,6-Diamino-2,4-dihydroxypyrimidine;4,5-Diamino-2,6-dihydroxypyrimidine;4,5-Diaminouracil;2,6-Dihydroxy-4,5-diaminopyrimidine;2,4-Dihydroxy-5,6-diaminopyrimidine;13034-83-8;23899-74-3;51171-03-0
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Yellow-Green Solid

5,6-diaminouracil is an aminouracil in which the ring hydrogens at positions 5 and 6 on uracil have been replaced by amino groups. It is a pyrimidone, an aminouracil and a diamine.

5,6-Diaminouracil Basic Attributes

Molecular Weight：

178.58

Exact Mass：

142.12

EC Number：

221-809-7

UNII：

VEU0FRO9FL

DSSTox ID：

DTXSID9062930

HScode：

2933599090

Characteristics

PSA：

110

XLogP3：

-1.9

Density：

1.481±0.06 g/cm3(Predicted)

Melting Point：

>300 °C

Boiling Point：

778.7ºC at 760 mmHg

Flash Point：

424.7ºC

Storage Conditions：

-20°C Freezer

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

5,6-diamino-2,4-dihydroxypyrimidine

5,6-Diaminouracil Use and Manufacturing

Uses

Intermediates of purine alkaloids such as caffeine, theophylline and theobromine.

Manufacturing Info：

2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-: ACTIVE

Computed Properties

Molecular Weight:142.12
XLogP3:-1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Exact Mass:142.04907545
Monoisotopic Mass:142.04907545
Topological Polar Surface Area:110
Heavy Atom Count:10
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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