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88067-37-2 | Guanidine, (5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-pyrimidinyl)-
CAS No: 88067-37-2 Catalog No: AG004EXX MDL No:
Product Description
Catalog Number:
AG004EXX
Chemical Name:
Guanidine, (5-ethyl-1,4-dihydro-6-methyl-4-oxo-2-pyrimidinyl)-
CAS Number:
88067-37-2
Molecular Formula:
C8H13N5O
Molecular Weight:
195.2217
IUPAC Name:
2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
InChI:
InChI=1S/C8H13N5O/c1-3-5-4(2)11-8(12-6(5)14)13-7(9)10/h3H2,1-2H3,(H5,9,10,11,12,13,14)
InChI Key:
CSLNTARCYJJCEO-UHFFFAOYSA-N
SMILES:
CCc1c(C)[nH]c(nc1=O)NC(=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:
195.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.226g/mol
Monoisotopic Mass:
195.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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