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833481-75-7 | Phenol, 3-[4-amino-7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-
CAS No: 833481-75-7 Catalog No: AG0055LZ MDL No:
Product Description
Catalog Number:
AG0055LZ
Chemical Name:
Phenol, 3-[4-amino-7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-
CAS Number:
833481-75-7
Molecular Formula:
C15H16N4O
Molecular Weight:
268.3137
IUPAC Name:
3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
InChI:
InChI=1S/C15H16N4O/c1-9(2)19-7-12(10-4-3-5-11(20)6-10)13-14(16)17-8-18-15(13)19/h3-9,20H,1-2H3,(H2,16,17,18)
InChI Key:
NIQJRFJYORDEIO-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1cn(c2c1c(N)ncn2)C(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.32g/mol
Monoisotopic Mass:
268.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. | Nature chemical biology 20081101 |
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