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Chemical ID: 3996171
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
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Experimental Annotations
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Descriptor Annotations
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