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827031-80-1 | 4-Quinazolinamine, N-(5-methoxy-2-pyrimidinyl)-2-methyl-
CAS No: 827031-80-1 Catalog No: AG004VX3 MDL No:
Product Description
Catalog Number:
AG004VX3
Chemical Name:
4-Quinazolinamine, N-(5-methoxy-2-pyrimidinyl)-2-methyl-
CAS Number:
827031-80-1
Molecular Formula:
C14H13N5O
Molecular Weight:
267.2859
IUPAC Name:
N-(5-methoxypyrimidin-2-yl)-2-methylquinazolin-4-amine
InChI:
InChI=1S/C14H13N5O/c1-9-17-12-6-4-3-5-11(12)13(18-9)19-14-15-7-10(20-2)8-16-14/h3-8H,1-2H3,(H,15,16,17,18,19)
InChI Key:
WURDJMHVVPMHJB-UHFFFAOYSA-N
SMILES:
COc1cnc(nc1)Nc1nc(C)nc2c1cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.292g/mol
Monoisotopic Mass:
267.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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