Chemical ID: 6501639

c1cnc2c(n1)c(nc(n2)N)O
Chemical ID:
6501639
Name [?]:
2-aminopteridin-4-ol
SMILES [?]:
c1cnc2c(n1)c(nc(n2)N)O
InChi [?]:
InChI=1/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,7,9,11,6,3,10,8,12/rA:12nCCNCCNCNCNNO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N5O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.10721
Area:304.649
Solvation:-2.50902
Coulombic:-55.3563
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:163.137
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:-0.4
LogP (Chemaxon):-0.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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