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111601-38-8 | 2,5,6-trimethyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-imine
CAS No: 111601-38-8 Catalog No: AG01FKXQ MDL No:
Product Description
Catalog Number:
AG01FKXQ
Chemical Name:
2,5,6-trimethyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-imine
CAS Number:
111601-38-8
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
IUPAC Name:
2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C9H12N4/c1-4-5(2)11-9-7(4)8(10)12-6(3)13-9/h1-3H3,(H3,10,11,12,13)
InChI Key:
ABYSHPMNLZCWGY-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2[nH]c(c(c2c(=N)n1)C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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