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4-IPP

CAT: 0127-BUP09808-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09808-05Size:100 mg
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CAS Number
41270-96-6
Synonyms
4-Iodo-6-phenylpyrimidine
Purity
=98%
Smiles
Ic1cc(ncn1)-c1ccccc1

Chemical Information

4-Iodo-6-phenylpyrimidine

4-iodo-6-phenylpyrimidine is a member of the class of pyrimidines carrying iodo and phenyl substituents at positions 4 and 6 respectively. It has a role as an antineoplastic agent, an apoptosis inducer and a macrophage migration inhibitory factor inhibitor. It is an organoiodine compound, a member of pyrimidines and a biaryl.

CAS Number41270-96-6
PubChem CID817368
IUPAC Name4-iodo-6-phenylpyrimidine
Molecular FormulaC10H7IN2
Molecular Weight282.08
XLogP2.6
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
C1=CC=C(C=C1)C2=CC(=NC=N2)I
InChI
InChI=1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
ZTCJXHNJVLUUMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Iodo-6-phenylpyrimidine
CAS: 41270-96-6
CID: 817368
Formula: C10H7IN2
MW: 282.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.08
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass281.96540
Monoisotopic Mass281.96540
Topological Polar Surface Area25.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
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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