Chemical ID: 4673840

CCc1c(c(nc(n1)N)N)c2ccccc2
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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Descriptor Annotations

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