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2-Methoxy-4-methylpyrimidine

CAT: 0127-OR1010520-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1010520-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14001-60-6
MDL Number
MFCD13175446
Purity
98%
Smiles
COc1nccc(C)n1

Chemical Information

2-Methoxy-4-methylpyrimidine
CAS Number14001-60-6
PubChem CID5063810
IUPAC Name2-methoxy-4-methylpyrimidine
Molecular FormulaC6H8N2O
Molecular Weight124.14
XLogP0.9
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
CC1=NC(=NC=C1)OC
InChI
InChI=1S/C6H8N2O/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3
InChIKey
CDKZAIGAEMFLEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-4-methylpyrimidine
CAS: 14001-60-6
CID: 5063810
Formula: C6H8N2O
MW: 124.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight124.14
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass124.063662883
Monoisotopic Mass124.063662883
Topological Polar Surface Area35 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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