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Chemical ID: 6421465
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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