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89792-11-0 | 2-Methyl-1H-pyrrolo[2,3-d]pyrimidin-4(7H);-one
CAS No: 89792-11-0 Catalog No: AG003YGU MDL No:MFCD11707375
Product Description
Catalog Number:
AG003YGU
Chemical Name:
2-Methyl-1H-pyrrolo[2,3-d]pyrimidin-4(7H);-one
CAS Number:
89792-11-0
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD11707375
IUPAC Name:
2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H7N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3,(H2,8,9,10,11)
InChI Key:
ZFUQHMCXUYLASE-UHFFFAOYSA-N
SMILES:
Cc1nc(=O)c2c([nH]1)[nH]cc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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