Barbituric acid derivatives

Description:

Compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Diazines ⮕ Pyrimidines and pyrimidine derivatives ⮕ Pyrimidones ⮕ Barbituric acid derivatives

Popular Products

Benzobarbital
CAS: 744-80-9 PubChem CID: 12938 Formula: C₁₉H₁₆N₂O₄ Molecular Weight: 336.35

Solid Moligand™ ? ≥99%

Out of Stock Item #: B693524

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Technical Identifiers

IUPAC Name

1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

SMILES

CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey
QMOWPJIFTHVQMB-UHFFFAOYSA-N

InChI

1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)
1-Methylbarbituric acid
CAS: 2565-47-1 Formula: C₅H₆N₂O₃ Molecular Weight: 142.11

Solid ≥95%

In Stock Item #: M694513

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IUPAC Name

1-methyl-1,3-diazinane-2,4,6-trione

SMILES

CN1C(=O)CC(=O)NC1=O

InChIKey
DCGGMHIZEAHUJL-UHFFFAOYSA-N

InChI

1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)

Synonyms
1-Methylpyrimidine-2,4,6(1H,3H,5H)-trione | n-methylbarbituric acid | 1-Methyl barbituric acid | 1-Methylbarbituric a...
1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Formula: C₂₂H₃₃N₃O₃ Molecular Weight: 387.5

Out of Stock Item #: C671075

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IUPAC Name

1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC(CC1CCCCC1)NC

InChIKey
MJCBWPMBFCUHBP-UHFFFAOYSA-N

InChI

1S/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3

Synonyms
CHEMBL3833301
Proxibarbal
CAS: 2537-29-3 Formula: C₁₀H₁₄N₂O₄ Molecular Weight: 226.23

Out of Stock Item #: P670926

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IUPAC Name

5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

SMILES

CC(CC1(C(=O)NC(=O)NC1=O)CC=C)O

InChIKey
VNLMRPAWAMPLNZ-UHFFFAOYSA-N

InChI

1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)

Synonyms
Proxibarbal | 5-Allilo-5-(beta-hydroksypropylo)-barbiturowy | Ipronal, (+-)- | 2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(2...
CaV1.3 antagonist-1
CAS: 1391385-57-1 PubChem CID: 57520395 Formula: C₁₇H₁₉ClN₂O₃ Molecular Weight: 334.80

≥98%

Out of Stock Item #: C650063

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IUPAC Name

1-[2-(3-chlorophenyl)ethyl]-3-cyclopentyl-1,3-diazinane-2,4,6-trione

SMILES

C1CCC(C1)N2C(=O)CC(=O)N(C2=O)CCC3=CC(=CC=C3)Cl

InChIKey
AJKSBVCOTKODMF-UHFFFAOYSA-N

InChI

1S/C17H19ClN2O3/c18-13-5-3-4-12(10-13)8-9-19-15(21)11-16(22)20(17(19)23)14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2
MHY-1685
CAS: 27406-31-1 PubChem CID: 5292673 Formula: C₁₁H₈N₂O₄ Molecular Weight: 232.19

≥99%

Out of Stock Item #: M646757

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Metharbital
CAS: 50-11-3 EC Number: 200-011-2 PubChem CID: 4099 Formula: C₉H₁₄N₂O₃ Molecular Weight: 198.22

Solid Moligand™ ? ≥98%

In Stock Item #: M611813

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IUPAC Name

5,5-diethyl-6-hydroxy-3-methyl-2,3,4,5-tetrahydropyrimidine-2,4-dione

SMILES

CCC1(CC)C(=NC(=O)N(C1=O)C)O

InChIKey
FWJKNZONDWOGMI-UHFFFAOYSA-N

InChI

1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)

Synonyms
DB00463 | METHARBITAL [INN] | SCHEMBL22556220 | Endiemal | Metharbital (JAN/INN) | 02OS7K758T | 1-Methyl-5,5-diethyl ...
diBA-(5)-C4
Moligand™ ?

Out of Stock Item #: D609869

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IUPAC Name

1,3-dibutyl-5-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diazinane-2,4,6-trione

SMILES

CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC

InChIKey
CQAPPGVBCMJDML-UHFFFAOYSA-N

InChI

1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,34H,5-12,18-21show more

Synonyms
bis-(1,3-dibutylbarbituric acid)pentamethine oxanol | oxalon dye
ML346
CAS: 100872-83-1 Formula: C₁₄H₁₂N₂O₄ Molecular Weight: 272.26

≥97%

In Stock Item #: M413522

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IUPAC Name

5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

SMILES

COC1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)NC2=O

InChIKey
IXYLVJHFJKDHRM-NSCUHMNNSA-N

InChI

1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)/b3-2+

Synonyms
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[3-(4-methoxyphenyl)-2-propen-1-ylidene]-
ML346
CAS: 100872-83-1 Formula: C₁₄H₁₂N₂O₄ Molecular Weight: 272.26

10mM in DMSO

In Stock Item #: M420297

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IUPAC Name

5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

SMILES

COC1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)NC2=O

InChIKey
IXYLVJHFJKDHRM-NSCUHMNNSA-N

InChI

1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)/b3-2+

Synonyms
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[3-(4-methoxyphenyl)-2-propen-1-ylidene]-
Alloxan monohydrate
CAS: 2244-11-3 Formula: C₄H₂N₂O₄ · H₂O Molecular Weight: 160.08

10mM in DMSO

Out of Stock Item #: A422700

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IUPAC Name

1,3-diazinane-2,4,5,6-tetrone;hydrate

SMILES

C1(=O)C(=O)NC(=O)NC1=O.O

InChIKey
DSXMTJRUNLATRP-UHFFFAOYSA-N

InChI

1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2

Synonyms
2244-11-3|Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate|Alloxan, monohydrate|2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydra...
5,5-Dipropylbarbituric acid
CAS: 2217-08-5 Formula: C₁₀H₁₆N₂O₃ Molecular Weight: 212.2

≥95%

Out of Stock Item #: D182917

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IUPAC Name

5,5-dipropyl-1,3-diazinane-2,4,6-trione

SMILES

CCCC1(C(=O)NC(=O)NC1=O)CCC

InChIKey
RCOUWKSZRXJXLA-UHFFFAOYSA-N

InChI

1S/C10H16N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)

Synonyms
5,5-Dipropylbarbituric acid|2217-08-5|Propylbarbital|Proponal|5,5-dipropyl-1,3-diazinane-2,4,6-trione|Dipropylbarbitu...

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