2,5-Dihydroxypyrimidine

CAT: 0127-OR315275Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR315275Size:1 Each

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CAS Number

4874-29-7

Synonyms

Isouracil

MDL Number

MFCD11112055

Purity

=95%

Smiles

Oc1cnc(O)nc1

Chemical Information

Pyrimidine-2,5-diol

CAS Number	4874-29-7
PubChem CID	134579
IUPAC Name	5-hydroxy-1H-pyrimidin-2-one
Molecular Formula	C4H4N2O2
Molecular Weight	112.09
XLogP	-0.9
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	171

SMILES

C1=C(C=NC(=O)N1)O

InChI

InChI=1S/C4H4N2O2/c7-3-1-5-4(8)6-2-3/h1-2,7H,(H,5,6,8)

InChIKey

QIPKQEKUQASMNI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4874-29-7

CID: 134579

Formula: C4H4N2O2

MW: 112.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.09
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.027277375
Monoisotopic Mass	112.027277375
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR29340-01	2,4-Dihydroxypyrimidine-5-carbonitrile
OR51846-01	Methyl 2,4-dihydroxypyrimidine-5-carboxylate
OR918718	2,5-Dimethyl-4,6-dihydroxypyrimidine
OR963590-01	2,4-Dihydroxypyrimidine
BUP19043	2,4-Dihydroxypyrimidine-5-carboxylic acid
OR6297-01	2,4-Dihydroxypyrimidine-5-carboxylic acid
OR15926-01	5-Bromo-4,6-dihydroxypyrimidine
OR92978-01	4,6-Dihydroxypyrimidine-5-carbaldehyde
OR1045253-01	Methyl 2-benzyl-5,6-dihydroxypyrimidine-4-carboxylate
OR62051	Methyl 5-chloro-2,6-dihydroxypyrimidine-4-carboxylate

Catalog	Name
C6611-1000	2,4-Dihydroxypyrimidine-5-carboxylic Acid
420266-01	2,4-Dihydroxypyrimidine-5-boronic acid
BAA19474	2,5-Dimethyl-4,6-dihydroxypyrimidine
sc-266132	2,5-Diamino-4,6-dihydroxypyrimidine
D30820-01	2,4-Dihydroxypyrimidine-5-carboxylic acid 95%
sc-335532	2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
FD08255-01	2,4-Dihydroxypyrimidine-5-carboxylic acid anhydrous
A19060	5-Amino-6-carboxy-2,4-dihydroxypyrimidine
D454625	2,4-Dihydroxypyrimidine-5-carboxylic Acid, Hydrate
D04610-01	5,6-Diamino-2,4-dihydroxypyrimidine monohydrochloride