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897359-75-0 | Pyrido[3,2-d]pyrimidin-4(1H)-one, 2-amino-6-(3,4-dimethoxyphenyl)-
CAS No: 897359-75-0 Catalog No: AG0041B7 MDL No:
Product Description
Catalog Number:
AG0041B7
Chemical Name:
Pyrido[3,2-d]pyrimidin-4(1H)-one, 2-amino-6-(3,4-dimethoxyphenyl)-
CAS Number:
897359-75-0
Molecular Formula:
C15H14N4O3
Molecular Weight:
298.2967
IUPAC Name:
2-amino-6-(3,4-dimethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C15H14N4O3/c1-21-11-6-3-8(7-12(11)22-2)9-4-5-10-13(17-9)14(20)19-15(16)18-10/h3-7H,1-2H3,(H3,16,18,19,20)
InChI Key:
XKUDADONKQLMDG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ccc2c(n1)c(=O)nc([nH]2)N
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.302g/mol
Monoisotopic Mass:
298.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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