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77440-13-2 | Formamide,N-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-N-methyl-
CAS No: 77440-13-2 Catalog No: AG005LLM MDL No:
Product Description
Catalog Number:
AG005LLM
Chemical Name:
Formamide,N-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-N-methyl-
CAS Number:
77440-13-2
Molecular Formula:
C6H9N5O2
Molecular Weight:
183.1680
IUPAC Name:
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide
InChI:
InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)
InChI Key:
CGWDNAFNQOBSCK-UHFFFAOYSA-N
SMILES:
O=CN(c1c(N)[nH]c(nc1=O)N)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.171g/mol
Monoisotopic Mass:
183.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
Literature
| Title | Journal |
|---|---|
| Ultraviolet-B-induced inactivation of human OGG1, the repair enzyme for removal of 8-oxoguanine in DNA. | Photochemistry and photobiology 20021201 |
| Alternative nucleotide incision repair pathway for oxidative DNA damage. | Nature 20020110 |
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