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91996-79-1 | 2,6-diaminopyrido[2,3-d]pyrimidin-4(1h)-one
CAS No: 91996-79-1 Catalog No: AG006GCC MDL No:MFCD22196174
Product Description
Catalog Number:
AG006GCC
Chemical Name:
2,6-diaminopyrido[2,3-d]pyrimidin-4(1h)-one
CAS Number:
91996-79-1
Molecular Formula:
C7H7N5O
Molecular Weight:
177.1634
MDL Number:
MFCD22196174
IUPAC Name:
2,6-diamino-3H-pyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H7N5O/c8-3-1-4-5(10-2-3)11-7(9)12-6(4)13/h1-2H,8H2,(H3,9,10,11,12,13)
InChI Key:
LTDDWSHVWVLMOE-UHFFFAOYSA-N
SMILES:
Nc1cnc2c(c1)c(=O)nc([nH]2)N
NSC Number:
153321
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.167g/mol
Monoisotopic Mass:
177.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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