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Chemical ID: 4259876
Chemical ID:
4259876
Name [?]:
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl]ethanol
SMILES [?]:
Cc1ncc(c(n1)N)C[N]2=CSC(=C2C)CCO
InChi [?]:
InChI=1/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:15,1,16,17,4,9,11,14,2,5,13,6,8,3,7,10,18,12/CRV:16d/rA:18nCCNCCCNNCN.2CSCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s12;s10d13;s14;s13;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N4OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70708 |
Area: | 445.99 |
Solvation: | -3.44267 |
Coulombic: | -47.3132 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 265.356 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.77 |
LogP (Chemaxon): | -3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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