ChemDB: Chemical Search
Download
Chemical ID: 4960894
Chemical ID:
4960894
Name [?]:
6-phenyl-2-(1-piperidyl)pyrimidin-4-ol
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)N3CCCCC3)O
InChi [?]:
InChI=1/C15H17N3O/c19-14-11-13(12-7-3-1-4-8-12)16-15(17-14)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,2,6,15,17,3,5,14,18,8,4,7,9,11,12,10,13,19/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCCNCNNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s14;s15;s16;s13s17;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68931 |
Area: | 444.125 |
Solvation: | -2.41381 |
Coulombic: | -36.9608 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 255.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.88 |
LogP (Chemaxon): | 4.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|