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16048-62-7 | 2-Pteridinamine, 5,6,7,8-tetrahydro-6,7-dimethyl-
CAS No: 16048-62-7 Catalog No: AG001RY5 MDL No:
Product Description
Catalog Number:
AG001RY5
Chemical Name:
2-Pteridinamine, 5,6,7,8-tetrahydro-6,7-dimethyl-
CAS Number:
16048-62-7
Molecular Formula:
C8H13N5
Molecular Weight:
179.2223
IUPAC Name:
6,7-dimethyl-5,6,7,8-tetrahydropteridin-2-amine
InChI:
InChI=1S/C8H13N5/c1-4-5(2)12-7-6(11-4)3-10-8(9)13-7/h3-5,11H,1-2H3,(H3,9,10,12,13)
InChI Key:
IAXDLDQYKBXQGI-UHFFFAOYSA-N
SMILES:
CC1Nc2cnc(nc2NC1C)N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.227g/mol
Monoisotopic Mass:
179.117g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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