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2-Methylpyrimidin-4-amine

CAT: 0127-OR301238-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR301238-01Size:100 mg
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CAS Number
74-69-1
MDL Number
MFCD00626295
Purity
98%
Smiles
Cc1nccc(N)n1

Chemical Information

2-Methylpyrimidin-4-amine
CAS Number74-69-1
PubChem CID295763
IUPAC Name2-methylpyrimidin-4-amine
Molecular FormulaC5H7N3
Molecular Weight109.13
XLogP0.3
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
CC1=NC=CC(=N1)N
InChI
InChI=1S/C5H7N3/c1-4-7-3-2-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChIKey
GKVDLTTVBNOGNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylpyrimidin-4-amine
CAS: 74-69-1
CID: 295763
Formula: C5H7N3
MW: 109.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight109.13
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass109.063997236
Monoisotopic Mass109.063997236
Topological Polar Surface Area51.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.1
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