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114636-21-4 | 1,3,5-Triazine-2,4,6-triamine, compd. with N-(4,6-dimethyl-2-pyrimidinyl)urea (1:1)
CAS No: 114636-21-4 Catalog No: AG000EVY MDL No:
Product Description
Catalog Number:
AG000EVY
Chemical Name:
1,3,5-Triazine-2,4,6-triamine, compd. with N-(4,6-dimethyl-2-pyrimidinyl)urea (1:1)
CAS Number:
114636-21-4
Molecular Formula:
C10H16N10O
Molecular Weight:
292.3004
IUPAC Name:
(4,6-dimethylpyrimidin-2-yl)urea;1,3,5-triazine-2,4,6-triamine
InChI:
InChI=1S/C7H10N4O.C3H6N6/c1-4-3-5(2)10-7(9-4)11-6(8)12;4-1-7-2(5)9-3(6)8-1/h3H,1-2H3,(H3,8,9,10,11,12);(H6,4,5,6,7,8,9)
InChI Key:
OSVHXUSKIAGJTN-UHFFFAOYSA-N
SMILES:
Nc1nc(N)nc(n1)N.NC(=O)Nc1nc(C)cc(n1)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.151g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
292.307g/mol
Monoisotopic Mass:
292.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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