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AP-C5

CAT: 0013-GTR19187973-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187973-01Size:5 mg
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Description
AP-C5
CAS Number
2234272-10-5
Product Name Alternative
CGMP
Field of Research
Infectious Disease & Virology
Purity
99.19% (May vary between batches)
Solubility
DMSO:60 mg/mL (217.94 mM)
Smiles
N (CC#C) C=1N=C (C2=CC=C (C=C2) N3C=CN=C3) C=CN1
Molecular Formula
C16H13N5
Molecular Weight
275.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 137919866
CAS Number2234272-10-5
PubChem CID137919866
IUPAC Name4-(4-imidazol-1-ylphenyl)-N-prop-2-ynylpyrimidin-2-amine
Molecular FormulaC16H13N5
Molecular Weight275.31
XLogP2
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity368
SMILES
C#CCNC1=NC=CC(=N1)C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C16H13N5/c1-2-8-18-16-19-9-7-15(20-16)13-3-5-14(6-4-13)21-11-10-17-12-21/h1,3-7,9-12H,8H2,(H,18,19,20)
InChIKey
QKHQFSQJQKGFAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 137919866
CAS: 2234272-10-5
CID: 137919866
Formula: C16H13N5
MW: 275.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.31
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass275.11709544
Monoisotopic Mass275.11709544
Topological Polar Surface Area55.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity368
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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