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146830-75-3 | 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-3-(2-propyn-1-yl)-
CAS No: 146830-75-3 Catalog No: AG001ED0 MDL No:
Product Description
Catalog Number:
AG001ED0
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-3-(2-propyn-1-yl)-
CAS Number:
146830-75-3
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
5,6-diamino-3-prop-2-ynyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H8N4O2/c1-2-3-11-6(12)4(8)5(9)10-7(11)13/h1H,3,8-9H2,(H,10,13)
InChI Key:
XRDGFNFUJLSBAK-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)[nH]c(c(c1=O)N)N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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