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Chemical ID: 6425470
Chemical ID:
6425470
Name [?]:
2-amino-6,7-dimethyl-5-(3-pyridylcarbonyl)-3,6,7,8-tetrahydropteridin-4-one
SMILES [?]:
CC1C(N(c2c(=O)[nH]c(nc2N1)N)C(=O)c3cccnc3)C
InChi [?]:
InChI=1/C14H16N6O2/c1-7-8(2)20(13(22)9-4-3-5-16-6-9)10-11(17-7)18-14(15)19-12(10)21/h3-8H,1-2H3,(H4,15,17,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,18,17,19,21,2,3,16,5,11,6,14,9,13,20,12,10,8,4,7,15/rA:22cCCCNCCONCNCNNCOCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;d5s10;s2s11;s9;s4;d14;s14;s16;d17;s18;d19;d16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N6O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.07485 |
Area: | 449.465 |
Solvation: | -3.16179 |
Coulombic: | -76.3695 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.316 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -0.27 |
LogP (Chemaxon): | -0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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