Chemical ID: 4259876

Cc1ncc(c(n1)N)C[N]2=CSC(=C2C)CCO
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

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