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Chemical ID: 4673840
Chemical ID:
4673840
Name [?]:
6-ethyl-5-phenyl-pyrimidine-2,4-diamine
SMILES [?]:
CCc1c(c(nc(n1)N)N)c2ccccc2
InChi [?]:
InChI=1/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,11,3,4,5,7,10,9,8,6/E:(4,5)(6,7)/rA:16nCCCCCNCNNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s5;s4;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28316 |
Area: | 388.179 |
Solvation: | -1.42133 |
Coulombic: | -46.3267 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 214.267 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 2.06 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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