Chemical ID: 6425470

CC1C(N(c2c(=O)[nH]c(nc2N1)N)C(=O)c3cccnc3)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue