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101092-03-9 | 2-Pteridinamine, 6,7-dimethyl-4-(phenylmethoxy)-
CAS No: 101092-03-9 Catalog No: AG0003Q0 MDL No:
Product Description
Catalog Number:
AG0003Q0
Chemical Name:
2-Pteridinamine, 6,7-dimethyl-4-(phenylmethoxy)-
CAS Number:
101092-03-9
Molecular Formula:
C15H15N5O
Molecular Weight:
281.3125
IUPAC Name:
6,7-dimethyl-4-phenylmethoxypteridin-2-amine
InChI:
InChI=1S/C15H15N5O/c1-9-10(2)18-13-12(17-9)14(20-15(16)19-13)21-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,16,18,19,20)
InChI Key:
WQJQFFJAILLJTD-UHFFFAOYSA-N
SMILES:
Nc1nc(OCc2ccccc2)c2c(n1)nc(c(n2)C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.319g/mol
Monoisotopic Mass:
281.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| 2-amino-O4-benzylpteridine derivatives: potent inactivators of O6-alkylguanine-DNA alkyltransferase. | Journal of medicinal chemistry 20040715 |
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