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141124-58-5 | 5-Pyrimidinol, 2,4-diamino-, hydrochloride (1:2)
CAS No: 141124-58-5 Catalog No: AG001FYI MDL No:
Product Description
Catalog Number:
AG001FYI
Chemical Name:
5-Pyrimidinol, 2,4-diamino-, hydrochloride (1:2)
CAS Number:
141124-58-5
Molecular Formula:
C4H8Cl2N4O
Molecular Weight:
199.0385
IUPAC Name:
2,4-diaminopyrimidin-5-ol;dihydrochloride
InChI:
InChI=1S/C4H6N4O.2ClH/c5-3-2(9)1-7-4(6)8-3;;/h1,9H,(H4,5,6,7,8);2*1H
InChI Key:
RJCJNXXYYTWFCM-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)O.Cl.Cl
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
199.035g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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