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1245645-33-3 | 4(3H)-PyriMidinone, 6-aMino-5-(diethoxyMethyl)-
CAS No: 1245645-33-3 Catalog No: AG000M9I MDL No:
Product Description
Catalog Number:
AG000M9I
Chemical Name:
4(3H)-PyriMidinone, 6-aMino-5-(diethoxyMethyl)-
CAS Number:
1245645-33-3
Molecular Formula:
C9H15N3O3
Molecular Weight:
213.2337
IUPAC Name:
4-amino-5-(diethoxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H15N3O3/c1-3-14-9(15-4-2)6-7(10)11-5-12-8(6)13/h5,9H,3-4H2,1-2H3,(H3,10,11,12,13)
InChI Key:
IDOJADLIZFSVCX-UHFFFAOYSA-N
SMILES:
CCOC(c1c(N)nc[nH]c1=O)OCC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.237g/mol
Monoisotopic Mass:
213.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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