Chemical ID: 6045454

c1(c([nH]c(=O)[nH]c1=O)N)[N+](=O)[O-]
Chemical ID:
6045454
Name [?]:
6-amino-5-nitro-1H-pyrimidine-2,4-dione
SMILES [?]:
c1(c([nH]c(=O)[nH]c1=O)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C4H4N4O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,7,4,9,3,6,10,8,5,11,12/E:(11,12)/CRV:8.5/rA:12nCCNCONCONN+OO-/rB:d1;s2;s3;d4;s4;s1s6;d7;s2;s1;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H4N4O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-1.13668
Area:300.284
Solvation:-8.64378
Coulombic:-69.0877
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:172.099
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.46
LogP (Chemaxon):-0.49

Name Annotations

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Descriptor Annotations

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