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4 6-Dihydroxy-2-Methylpyrimidine

CAT: 0286-D29900Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-D29900Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40497-30-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00006104
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Methyl-4,6-pyrimidinedione
CAS Number40497-30-1
PubChem CID580924
IUPAC Name2-methyl-1H-pyrimidine-4,6-dione
Molecular FormulaC5H6N2O2
Molecular Weight126.11
XLogP-0.9
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity195
SMILES
CC1=NC(=O)CC(=O)N1
InChI
InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)
InChIKey
GNVCKXIBBIIFPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4,6-pyrimidinedione
CAS: 40497-30-1
CID: 580924
Formula: C5H6N2O2
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.042927438
Monoisotopic Mass126.042927438
Topological Polar Surface Area58.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity195
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

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