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80360-04-9 | Pyrido[2,3-d]pyrimidine-6-carboxaldehyde, 2,4-diamino-
CAS No: 80360-04-9 Catalog No: AG005MAW MDL No:MFCD13192622
Product Description
Catalog Number:
AG005MAW
Chemical Name:
Pyrido[2,3-d]pyrimidine-6-carboxaldehyde, 2,4-diamino-
CAS Number:
80360-04-9
Molecular Formula:
C8H7N5O
Molecular Weight:
189.1741
MDL Number:
MFCD13192622
IUPAC Name:
2,4-diaminopyrido[2,3-d]pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C8H7N5O/c9-6-5-1-4(3-14)2-11-7(5)13-8(10)12-6/h1-3H,(H4,9,10,11,12,13)
InChI Key:
UYUUMAIFLCHISV-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2c(c1)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:
-0.4
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