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2-Chloro-4-methylpyrimidine

CAT: 0572-TRC-C369530-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C369530-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13036-57-2
Synonyms
GW 708526X; Dabrafenib related
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cc1ccnc(Cl)n1
Molecular Formula
C5 H5 Cl N2
Molecular Weight
128.56
InChI
InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
Additionnal Information
IUPAC name: 2-chloro-4-methylpyrimidine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Chloro-4-methylpyrimidine
CAS Number13036-57-2
PubChem CID11629607
IUPAC Name2-chloro-4-methylpyrimidine
Molecular FormulaC5H5ClN2
Molecular Weight128.56
XLogP1.6
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
CC1=NC(=NC=C1)Cl
InChI
InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
BHAKRVSCGILCEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-methylpyrimidine
CAS: 13036-57-2
CID: 11629607
Formula: C5H5ClN2
MW: 128.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.56
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass128.0141259
Monoisotopic Mass128.0141259
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.8
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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