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126865-37-0 | 5-Pyrimidinecarbonitrile, 2-amino-1,6-dihydro-4-(2-hydroxyethoxy)-6-oxo-
CAS No: 126865-37-0 Catalog No: AG000TE2 MDL No:MFCD00172358
Product Description
Catalog Number:
AG000TE2
Chemical Name:
5-Pyrimidinecarbonitrile, 2-amino-1,6-dihydro-4-(2-hydroxyethoxy)-6-oxo-
CAS Number:
126865-37-0
Molecular Formula:
C7H8N4O3
Molecular Weight:
196.1634
MDL Number:
MFCD00172358
IUPAC Name:
2-amino-4-(2-hydroxyethoxy)-6-oxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C7H8N4O3/c8-3-4-5(13)10-7(9)11-6(4)14-2-1-12/h12H,1-2H2,(H3,9,10,11,13)
InChI Key:
LMRYNJIHZGCSKD-UHFFFAOYSA-N
SMILES:
Nc1nc(OCCO)c(c(=O)[nH]1)C#N
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.166g/mol
Monoisotopic Mass:
196.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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