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Chemical ID: 4250471
Chemical ID:
4250471
Name [?]:
4-dimethylamino-6-morpholino-1,3,5-triazine-2-carboxamide
SMILES [?]:
CN(C)c1nc(nc(n1)N2CCOCC2)C(=O)N
InChi [?]:
InChI=1/C10H16N6O2/c1-15(2)9-12-8(7(11)17)13-10(14-9)16-3-5-18-6-4-16/h3-6H2,1-2H3,(H2,11,17)
InChi Info:
AuxInfo=1/1/N:1,3,11,15,12,14,16,6,4,8,18,5,7,9,2,10,17,13/E:(1,2)(3,4)(5,6)/rA:18nCNCCNCNCNNCCOCCCON/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s10s14;s6;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N6O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41796 |
Area: | 431.594 |
Solvation: | -3.3719 |
Coulombic: | -68.4301 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.65 |
LogP (Chemaxon): | 0.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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