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100383-13-9 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2-methoxy-
CAS No: 100383-13-9 Catalog No: AG0001TY MDL No:
Product Description
Catalog Number:
AG0001TY
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2-methoxy-
CAS Number:
100383-13-9
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C7H8N4O/c1-12-7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H3,8,9,10,11)
InChI Key:
IFOOGCCCDQVDCE-UHFFFAOYSA-N
SMILES:
COc1nc(N)c2c(n1)[nH]cc2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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