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Chemical ID: 5259385
Chemical ID:
5259385
Name [?]:
4-phenyl-6-(2-quinolylmethyl)pyrimidin-2-ol
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)O)Cc3ccc4ccccc4n3
InChi [?]:
InChI=1/C20H15N3O/c24-20-22-17(13-19(23-20)14-6-2-1-3-7-14)12-16-11-10-15-8-4-5-9-18(15)21-16/h1-11,13H,12H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,17,16,14,8,4,18,15,9,23,7,11,24,10,12,13/E:(2,3)(6,7)/rA:24nCCCCCCCCCNCNOCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s9;s14;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95501 |
Area: | 524.498 |
Solvation: | -3.15743 |
Coulombic: | -36.3006 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 313.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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