Chemical ID: 4169526

Cc1cc(nc(n1)c2ccccc2O)NCc3ccccc3
Chemical ID:
4169526
Name [?]:
2-(4-benzylamino-6-methyl-pyrimidin-2-yl)phenol
SMILES [?]:
Cc1cc(nc(n1)c2ccccc2O)NCc3ccccc3
InChi [?]:
InChI=1/C18H17N3O/c1-13-11-17(19-12-14-7-3-2-4-8-14)21-18(20-13)15-9-5-6-10-16(15)22/h2-11,22H,12H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,10,11,18,22,9,12,3,16,2,17,8,13,4,6,15,7,5,14/E:(3,4)(7,8)/rA:22nCCCCNCNCCCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;s4;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.7325
Area:504.149
Solvation:-2.87123
Coulombic:-40.8283
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.347
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.33
LogP (Chemaxon):3.89

Name Annotations

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Descriptor Annotations

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