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123241-90-7 | 5-Quinazolinecarboxylic acid, 2,4-diamino-, methyl ester
CAS No: 123241-90-7 Catalog No: AG000K88 MDL No:
Product Description
Catalog Number:
AG000K88
Chemical Name:
5-Quinazolinecarboxylic acid, 2,4-diamino-, methyl ester
CAS Number:
123241-90-7
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
methyl 2,4-diaminoquinazoline-5-carboxylate
InChI:
InChI=1S/C10H10N4O2/c1-16-9(15)5-3-2-4-6-7(5)8(11)14-10(12)13-6/h2-4H,1H3,(H4,11,12,13,14)
InChI Key:
USRLRJWCKURKCO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(N)nc(n2)N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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