Chemical ID: 6421177

CNc1cc(=O)[nH]cn1
Chemical ID:
6421177
Name [?]:
6-methylamino-3H-pyrimidin-4-one
SMILES [?]:
CNc1cc(=O)[nH]cn1
InChi [?]:
InChI=1/C5H7N3O/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,4,8,3,5,2,9,7,6/rA:9nCNCCCONCN/rB:s1;s2;d3;s4;d5;s5;s7;s3d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.80064
Area:272.029
Solvation:-2.00008
Coulombic:-35.9676
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:125.129
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.84
LogP (Chemaxon):-0.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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