UCSF

ZINC03626638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 9 Yes

Popular Name: Barbituric acid Barbituric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 223673-88-9 , 223674-01-9 , 4390-16-3 , 67-52-7

Other Names:

"Barbituric acid, 98%"

1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione

1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione; 2,4,6(1H,3H,5H)-pyrimidinetrione; 2,4,6-Pyrimidinetriol; 2,4,6-Pyrimidinetrione; 2,4,6-Trihydroxypyrimidine; 2,4,6-Trioxohexahydropyrimidine; 6-Hydroxyuracil; BARBITURIC ACID; Barbiturate; Barbituric acid (VAN

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

11709_FLUKA

117491-80-2

118738-52-6

1194-23-6

154254-45-2

158217-19-7

160336-60-7

16564-27-5

185698_SIAL

2(1H)-Pyrimidinone, 4,6-dihydroxy- (9CI)

2,4,6(1H,3H,5H)-Pyrimidinetrione

2,4,6(1H,3H,5H)-Pyrimidinetrione (9CI)

2,4,6(1H,3H,5H)-Pyrimidinetrione, monosodium salt; Barbituric acid, monosodium salt; Barbituric acid, sodium salt; EINECS 224-507-3; LS-24639; Monosodium barbiturate; Sodium barbiturate

2,4,6(1H,3H,5H)-Pyrimidinetrione; 2,4,6-Pyrimidinetriol; 2,4,6-Pyrimidinetrione; 2,4,6-Trihydroxypyrimidine; 2,4,6-Trioxohexahydropyrimidine; 6-Hydroxyuracil; AI3-02724; Barbituric acid; Barbituric acid (VAN); EINECS 200-658-0; Hydrouracil, 6-hydroxy-; LS

2,4,6(1H,3H,5H)-pyrimidinetrione; Barbitursaeure; Malonylharnstoff

2,4,6(1H,3H,5H)-Pyrimidinetrione;2,4,6(1H,3H,5H)-Pyrimidinetrione (ACD/Name 4.0);2,4,6-(1H,3H,5H)-Pyrimidinetrione;2,4,6-Pyrimidinetriol;2,4,6-Pyrimidinetrione(1H,3H,5H);2,4,6-Trihydroxypyrimidine;2,4,6-Trioxohexahydropyrimidine;6-Hydroxyuracil;Barbiturat

2,4,6-(1H,3H,5H)-Pyrimidinetrione

2,4,6-Pyrimidinetriol

2,4,6-Pyrimidinetrione

2,4,6-Trihydroxypyrimidine

2,4,6-Trihydroxypyrimidine(Barbituric acid)

2,4,6-Trihydroxypyrimidine-[13C4,15N2], Malonylurea-[13C4,15N2]

2,4,6-trioxo-1,3-diazinane-1,5-diide; barbiturate; barbiturate dianion

2,4,6-Trioxohexahydropyrimidine

2,4,6-trioxotetrahydro-2H-pyrimidin-1-ide

20964-57-2

223674-02-0

253678-06-7

253678-07-8

253678-08-9

32267-40-6

4,6-dioxo-1H-pyrimidin-2-olate

408335-37-5

42910-84-9

4390-16-3 (mono-hydrochloride salt)

465532-08-5

477705-05-8

4A0BDFFD-9542-4996-A89F-E5A55D03B250

51159-18-3

53853-41-1

6-Hydroxyuracil

67-52-7

67-52-7; Barbiturate; Barbituric acid; C00813; Malonylurea

678184-94-6

774592-06-2

860760-03-8

888733-51-5

914348-20-2

944357-77-1

AC1L1M19

AC1MMJIY

AC1Q6GAK

AG-670/31547005

AI3-02724

AKOS000288853

AR-1H7693

Barbiturate

barbiturate anion

barbiturate(2-)

Barbituric acid (VAN)

Barbituric acid (VAN) (8CI)

Barbituric acid, 99%

Barbituric acid, 99+%

Barbituric Acid-[13C4,15N2]

BarbituricAcid

Barbitursaeure

bmse000346

C00813

C032232

CHEBI:16294

CHEBI:22692; CHEBI:2993

CHEBI:29745

CHEBI:669285

CHEMBL574699

CID3262018

CID6211

DAP001459

EINECS 200-658-0

hexahydro-pyrimidine-2,4,6-trione

Hexahydropyrimidine-2,4,6-trione

Hydrouracil, 6-hydroxy-

InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9

LS-7209

Malonylharnstoff

Malonylurea

MFCD00006666

MFCD00065377

MFCD00071529

MolPort-000-998-466

NSC 7889

NSC7889

pyrimidine-2,4,6(1H,3H,5H)-trione

Pyrimidinetriol

Pyrimidinetrione

S03-0134

Sodium barbiturate

STK317809

Urea, N,N'-(1,3-dioxo-1,3-propanediyl)-

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.77 -4.56 -32.2 2 5 -1 89 127.079 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 248 - 255 Acros Organics
Purity 95% Fluorochem
Melting_Point ca 250? dec. Alfa-Aesar
Melting_Point ca 250° dec. Alfa-Aesar
UniProt Database Links E2AK1_RAT ChEBI
Patent Database Links EP0950655; EP0960896; EP1502569; EP1749516; EP1759713; EP1911443; EP1935434; EP1938843; US2003166740; US2004167358; US2004171543; US2005172420; US2006078518; US2006094758; US2006120956; US2006189622; US2006223076; US2007189991; US2007203257; US2007259903 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US4189580 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )