Chemical ID: 4910057

CC1(OCC(CO1)(CO)Nc2nc(nc(n2)N3CC3)N4CC4)C
Chemical ID:
4910057
Name [?]:
[5-[(4,6-diaziridin-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethyl-1,3-dioxan-5-yl]methanol
SMILES [?]:
CC1(OCC(CO1)(CO)Nc2nc(nc(n2)N3CC3)N4CC4)C
InChi [?]:
InChI=1/C14H22N6O3/c1-13(2)22-8-14(7-21,9-23-13)18-10-15-11(19-3-4-19)17-12(16-10)20-5-6-20/h21H,3-9H2,1-2H3,(H,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,23,18,19,21,22,8,4,6,11,15,13,2,5,16,12,14,10,17,20,9,3,7/E:(1,2)(3,4,5,6)(8,9)(11,12)(15,16)(19,20)(22,23)/rA:23nCCOCCCOCONCNCNCNNCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s5;s10;s11;d12;s13;d14;d11s15;s15;s17;s17s18;s13;s20;s20s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N6O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.70552
Area:490.911
Solvation:-6.56724
Coulombic:-76.3047
Bond Count [?]
All:26
Single:23
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.363
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.47
LogP (Chemaxon):1.23

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Descriptor Annotations

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