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Chemical ID: 4687471
Chemical ID:
4687471
Name [?]:
4-(2-pyridyl)pyrimidin-2-amine
SMILES [?]:
c1ccnc(c1)c2ccnc(n2)N
InChi [?]:
InChI=1/C9H8N4/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H,(H2,10,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,9,5,7,11,13,4,10,12/rA:13nCCCNCCCCCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.73626 |
Area: | 337.835 |
Solvation: | -1.70963 |
Coulombic: | -33.3723 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.187 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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