Chemical ID: 3996171

c1ccc(cc1)c2nc(c(c(n2)Cl)N)Cl
Chemical ID:
3996171
Name [?]:
4,6-dichloro-2-phenyl-pyrimidin-5-amine
SMILES [?]:
c1ccc(cc1)c2nc(c(c(n2)Cl)N)Cl
InChi [?]:
InChI=1/C10H7Cl2N3/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h1-5H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,10,9,11,7,15,13,14,8,12/E:(2,3)(4,5)(8,9)(11,12)(14,15)/rA:15nCCCCCCCNCCCNClNCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s10;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7Cl2N3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.34022
Area:402.75
Solvation:-0.728538
Coulombic:-32.3737
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:240.088
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.36
LogP (Chemaxon):2.95

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