Chemical ID: 3968327

CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl
Chemical ID:
3968327
Name [?]:
5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine
SMILES [?]:
CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,16,13,15,11,14,3,4,5,7,17,10,9,8,6/E:(3,4)(5,6)/rA:17nCCCCCNCNNNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s5;s4;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClN4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.09962
Area:423.094
Solvation:-1.47773
Coulombic:-46.3075
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.711
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:2.68
LogP (Chemaxon):2.73

Name Annotations

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Descriptor Annotations

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