Home Other Building Blocks 2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol dihydrochloride

2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol dihydrochloride

CAS No.:
2044714-12-5
Catalog Number:
AG01BXOX
Molecular Formula:
C7H11Cl2N3O
Molecular Weight:
224.0877
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Product Description
Catalog Number:
AG01BXOX
Chemical Name:
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol dihydrochloride
CAS Number:
2044714-12-5
Molecular Formula:
C7H11Cl2N3O
Molecular Weight:
224.0877
MDL Number:
MFCD30486540
IUPAC Name:
2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;dihydrochloride
InChI:
InChI=1S/C7H9N3O.2ClH/c1-4-9-6-3-8-2-5(6)7(11)10-4;;/h8H,2-3H2,1H3,(H,9,10,11);2*1H
InChI Key:
NZOXTBNAVWBQND-UHFFFAOYSA-N
SMILES:
Cc1nc(O)c2c(n1)CNC2.Cl.Cl
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
224.085g/mol
Monoisotopic Mass:
223.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties