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696-10-6 | 2(1H)-Pyrimidinone,4-amino-5,6-dihydro-1-methyl-
CAS No: 696-10-6 Catalog No: AG005JZ5 MDL No:
Product Description
Catalog Number:
AG005JZ5
Chemical Name:
2(1H)-Pyrimidinone,4-amino-5,6-dihydro-1-methyl-
CAS Number:
696-10-6
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
IUPAC Name:
6-amino-3-methyl-4,5-dihydropyrimidin-2-one
InChI:
InChI=1S/C5H9N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H2,1H3,(H2,6,7,9)
InChI Key:
RJJBUZDUYVHCRD-UHFFFAOYSA-N
SMILES:
CN1CCC(=NC1=O)N
NSC Number:
47692
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.075g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.147g/mol
Monoisotopic Mass:
127.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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