Chemical ID: 6658872

c1c(c(nc(n1)O)O)N(CCCl)CCCl
Chemical ID:
6658872
Name [?]:
5-[bis(2-chloroethyl)amino]pyrimidine-2,4-diol
SMILES [?]:
c1c(c(nc(n1)O)O)N(CCCl)CCCl
InChi [?]:
InChI=1/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)
InChi Info:
AuxInfo=1/1/N:11,14,10,13,1,2,3,5,12,15,6,4,9,8,7/E:(1,2)(3,4)(9,10)/rA:15nCCCNCNOONCCClCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s2;s9;s10;s11;s9;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11Cl2N3O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.18079
Area:430.196
Solvation:-3.5741
Coulombic:-52.9791
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.097
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.11
LogP (Chemaxon):2.4

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