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13300-30-6 | 2,4(1H,3H)-Pyrimidinedione, 6-[(2-hydroxyethyl)amino]-3-methyl-
CAS No: 13300-30-6 Catalog No: AG0011IT MDL No:
Product Description
Catalog Number:
AG0011IT
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(2-hydroxyethyl)amino]-3-methyl-
CAS Number:
13300-30-6
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
6-(2-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H11N3O3/c1-10-6(12)4-5(8-2-3-11)9-7(10)13/h4,8,11H,2-3H2,1H3,(H,9,13)
InChI Key:
XCJLDLYHOCIIBD-UHFFFAOYSA-N
SMILES:
OCCNc1cc(=O)n(c(=O)[nH]1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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