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2-Hydroxypyrimidine hydrochloride

CAT: 0931-TD1241-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TD1241-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38353-09-2
Bioactivity
2-Hydroxypyrimidine hydrochloride, with CAS No. 38353-09-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2-Hydroxypyrimidine hydrochloride provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Cl.O=C1NC=CC=N1
Molecular Formula
C4H5ClN2O
Molecular Weight
132.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2(1H)-Pyrimidinone, hydrochloride (1:1)
CAS Number38353-09-2
PubChem CID122774
IUPAC Name1H-pyrimidin-2-one;hydrochloride
Molecular FormulaC4H5ClN2O
Molecular Weight132.55
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity137
SMILES
C1=CNC(=O)N=C1.Cl
InChI
InChI=1S/C4H4N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H
InChIKey
IAJINJSFYTZPEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(1H)-Pyrimidinone, hydrochloride (1:1)
CAS: 38353-09-2
CID: 122774
Formula: C4H5ClN2O
MW: 132.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.55
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass132.0090405
Monoisotopic Mass132.0090405
Topological Polar Surface Area41.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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