Products for Research Use Only

4-Hydroxypyrimidine

CAT: 0013-GTR19252730-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19252730-01Size:1 g
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Description
4-Hydroxypyrimidine
CAS Number
51953-17-4
Purity
≥95% (May vary between batches)
Smiles
O=C1C=CN=CN1
Molecular Formula
C4H4N2O
Molecular Weight
96.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4(3H)-Pyrimidinone

structure in first source

CAS Number51953-17-4
PubChem CID104028
IUPAC Name5H-pyrimidin-4-one
Molecular FormulaC4H4N2O
Molecular Weight96.09
XLogP-0.6
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity137
SMILES
C1C=NC=NC1=O
InChI
InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3H,1H2
InChIKey
TZYQTWHRLVDYPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4(3H)-Pyrimidinone
CAS: 51953-17-4
CID: 104028
Formula: C4H4N2O
MW: 96.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight96.09
XLogP3-0.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.032362755
Monoisotopic Mass96.032362755
Topological Polar Surface Area41.8 Ų
Heavy Atom Count7
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 Count1
Compound Is CanonicalizedYes