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6713-54-8

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Basic Information
CAS No.: 6713-54-8
Name: 2,4,6,8-Tetrahydroxy-Pyrimido-(5,4D)Pyrimidine
Article Data: 6
Molecular Structure:
Molecular Structure of 6713-54-8 (2,4,6,8-Tetrahydroxy-Pyrimido-(5,4D)Pyrimidine)
Formula: C6H4N4O4
Molecular Weight: 196.122
Synonyms: Pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrol(6CI,8CI);Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone,1,5-dihydro-;Homouric acid;NSC20089;NSC 338188;Pyrimido[5,4-d]pyrimidine-2,4,6,8(1H,3H,5H,7H)-tetrone;
EINECS: 229-766-6
Density: 1.89 g/cm3
PSA: 132.48000
LogP: -0.75780
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Synthetic route
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Conditions
ConditionsYield
With water; ammonium chloride at 210℃;
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5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

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urea

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Conditions
ConditionsYield
With water; ammonium chloride at 210℃;

6713-54-8

1,5-dihydro-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetraone

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1,3,5,7-tetramethyl-1,5-dihydro-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetraone

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1,5-dihydro-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetraone

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dimethyl sulfate

A

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1,3,7-trimethyl-1,5-dihydro-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetraone

B

93506-59-3

1,3,5,7-tetramethyl-1,5-dihydro-pyrimido[5,4-d]pyrimidine-2,4,6,8-tetraone

Conditions
ConditionsYield
With potassium hydroxide at 30 - 40℃;
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Chemistry

Molecule structure of 2,4,6,8-Tetrahydroxypyrimido[5,4-d]pyrimidine (CAS NO.6713-54-8):

IUPAC Name: 1,5-Dihydropyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone 
Molecular Weight: 196.12036 g/mol
Molecular Formula: C6H4N4O4 
Density: 1.89 g/cm3
Index of Refraction: 1.707
Molar Refractivity: 40.26 cm3
Molar Volume: 103.3 cm3
Surface Tension: 98 dyne/cm
XLogP3-AA: -2
H-Bond Donor: 4
H-Bond Acceptor: 4
Tautomer Count: 35
Exact Mass: 196.023255
MonoIsotopic Mass: 196.023255
Topological Polar Surface Area: 116
Heavy Atom Count: 14
Canonical SMILES: C12=C(C(=O)NC(=O)N1)NC(=O)NC2=O
InChI: InChI=1S/C6H4N4O4/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1/h(H2,7,10,12,13)(H2,8,9,11,14)
InChIKey: ZEKJTVBUDUYZOU-UHFFFAOYSA-N
EINECS: 229-766-6

Uses

 2,4,6,8-Tetrahydroxypyrimido[5,4-d]pyrimidine (CAS NO.6713-54-8) is used as pharmaceutical intermediates.

Specification

 2,4,6,8-Tetrahydroxypyrimido[5,4-d]pyrimidine (CAS NO.6713-54-8) is also named as 1,5-Dihydropyrimido(5,4-d)pyrimidine-2,4,6,8(3H,7H)tetrone ; Homouric Acid ; Oxyhomouric Acid ; Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone, 1,5-dihydro- .