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99898-85-8 | 1,7-DIHYDRO-6-METHYL-4H-PYRROLO[2,3-D]PYRIMIDIN-4-ONE
CAS No: 99898-85-8 Catalog No: AG003VUW MDL No:MFCD25969832
Product Description
Catalog Number:
AG003VUW
Chemical Name:
1,7-DIHYDRO-6-METHYL-4H-PYRROLO[2,3-D]PYRIMIDIN-4-ONE
CAS Number:
99898-85-8
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD25969832
IUPAC Name:
6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H7N3O/c1-4-2-5-6(10-4)8-3-9-7(5)11/h2-3H,1H3,(H2,8,9,10,11)
InChI Key:
WIEMRSCPESTZFI-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1)c(=O)nc[nH]2
NSC Number:
344518
Properties
Complexity:
214
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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