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477853-58-0 | 2,4-dioxo-1-(pyridin-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS No: 477853-58-0 Catalog No: AG00INE7 MDL No:MFCD00172916
Product Description
Catalog Number:
AG00INE7
Chemical Name:
2,4-dioxo-1-(pyridin-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
477853-58-0
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
MDL Number:
MFCD00172916
IUPAC Name:
2,4-dioxo-1-pyridin-3-ylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C10H6N4O2/c11-4-7-6-14(10(16)13-9(7)15)8-2-1-3-12-5-8/h1-3,5-6H,(H,13,15,16)
InChI Key:
SGGRKQCEMAIOQM-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2cccnc2)c(=O)[nH]c1=O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.184g/mol
Monoisotopic Mass:
214.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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