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88553-25-7 | Pyrido[3,2-d]pyrimidine-6-carboxaldehyde, 2,4-diamino-
CAS No: 88553-25-7 Catalog No: AG004F0P MDL No:
Product Description
Catalog Number:
AG004F0P
Chemical Name:
Pyrido[3,2-d]pyrimidine-6-carboxaldehyde, 2,4-diamino-
CAS Number:
88553-25-7
Molecular Formula:
C8H7N5O
Molecular Weight:
189.1741
IUPAC Name:
2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C8H7N5O/c9-7-6-5(12-8(10)13-7)2-1-4(3-14)11-6/h1-3H,(H4,9,10,12,13)
InChI Key:
VUPAGIQIPGRNOO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(n1)c(N)nc(n2)N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.178g/mol
Monoisotopic Mass:
189.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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