Chemical ID: 6421465

Cc1[nH]c(=O)c2c(n1)[nH]cn2
Chemical ID:
6421465
Name [?]:
2-methyl-1,9-dihydropurin-6-one
SMILES [?]:
Cc1[nH]c(=O)c2c(n1)[nH]cn2
InChi [?]:
InChI=1/C6H6N4O/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,2,6,7,4,11,9,8,3,5/rA:11nCCNCOCCNNCN/rB:s1;s2;s3;d4;s4;d6;d2s7;s7;s9;s6d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.30361
Area:292.327
Solvation:-2.00457
Coulombic:-42.2152
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.63
LogP (Chemaxon):-0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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