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833481-33-7 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-iodo-N-methyl-7-(1-methylethyl)-
CAS No: 833481-33-7 Catalog No: AG0055M2 MDL No:
Product Description
Catalog Number:
AG0055M2
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-iodo-N-methyl-7-(1-methylethyl)-
CAS Number:
833481-33-7
Molecular Formula:
C10H13IN4
Molecular Weight:
316.1415
IUPAC Name:
5-iodo-N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C10H13IN4/c1-6(2)15-4-7(11)8-9(12-3)13-5-14-10(8)15/h4-6H,1-3H3,(H,12,13,14)
InChI Key:
XGUMSIVOFJMGEC-UHFFFAOYSA-N
SMILES:
CNc1ncnc2c1c(I)cn2C(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.146g/mol
Monoisotopic Mass:
316.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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