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Chemical ID: 5193332
Chemical ID:
5193332
Name [?]:
2-amino-6-(4-phenylphenyl)-pyrimidin-4-ol
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3cc(nc(n3)N)O
InChi [?]:
InChI=1/C16H13N3O/c17-16-18-14(10-15(20)19-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H3,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,14,4,7,10,13,15,17,19,18,16,20/E:(2,3)(4,5)(6,7)(8,9)/rA:20nCCCCCCCCCCCCCCCNCNNO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00662 |
Area: | 462.73 |
Solvation: | -2.56162 |
Coulombic: | -47.0219 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.294 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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