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74954-62-4 | 4-Pyrimidinamine,5-ethynyl-2-methoxy-
CAS No: 74954-62-4 Catalog No: AG005FZB MDL No:MFCD18820905
Product Description
Catalog Number:
AG005FZB
Chemical Name:
4-Pyrimidinamine,5-ethynyl-2-methoxy-
CAS Number:
74954-62-4
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD18820905
IUPAC Name:
5-ethynyl-2-methoxypyrimidin-4-amine
InChI:
InChI=1S/C7H7N3O/c1-3-5-4-9-7(11-2)10-6(5)8/h1,4H,2H3,(H2,8,9,10)
InChI Key:
NMWXKZPSPHSPLW-UHFFFAOYSA-N
SMILES:
COc1ncc(c(n1)N)C#C
Properties
Complexity:
174
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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