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883867-82-1 | 2(1H)-Pyrimidinone, 4-(cyclopropylamino)-
CAS No: 883867-82-1 Catalog No: AG004ILP MDL No:
Product Description
Catalog Number:
AG004ILP
Chemical Name:
2(1H)-Pyrimidinone, 4-(cyclopropylamino)-
CAS Number:
883867-82-1
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
IUPAC Name:
6-(cyclopropylamino)-1H-pyrimidin-2-one
InChI:
InChI=1S/C7H9N3O/c11-7-8-4-3-6(10-7)9-5-1-2-5/h3-5H,1-2H2,(H2,8,9,10,11)
InChI Key:
JNABZADKBGFIBM-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc(n1)NC1CC1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Long-range electron and hole transport through DNA with tethered cyclometalated iridium(III) complexes. | Journal of the American Chemical Society 20071128 |
| Sequence dependence of charge transport through DNA domains. | Journal of the American Chemical Society 20051214 |
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