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2-Hydroxy-4-methylpyrimidine hydrochloride

CAT: 0127-OR59839Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR59839Size:25 g
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CAS Number
5348-51-6
Synonyms
4-Methylpyrimidin-2-ol hydrochloride, 4-Methylpyrimidin-2 (1H) -one hydrochloride
MDL Number
MFCD00151347
Purity
=95%
Smiles
Cl.Cc1ccnc(O)n1

Chemical Information

2(1H)-Pyrimidinone, 6-methyl-, hydrochloride (1:1)
CAS Number5348-51-6
PubChem CID2723648
IUPAC Name6-methyl-1H-pyrimidin-2-one;hydrochloride
Molecular FormulaC5H7ClN2O
Molecular Weight146.57
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity169
SMILES
CC1=CC=NC(=O)N1.Cl
InChI
InChI=1S/C5H6N2O.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
InChIKey
FDRYQDWXFZBBAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(1H)-Pyrimidinone, 6-methyl-, hydrochloride (1:1)
CAS: 5348-51-6
CID: 2723648
Formula: C5H7ClN2O
MW: 146.57
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight146.57
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass146.0246905
Monoisotopic Mass146.0246905
Topological Polar Surface Area41.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity169
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