ChemDB: Chemical Search
Download
Chemical ID: 5193247
Chemical ID:
5193247
Name [?]:
2-amino-6-methyl-5-pentyl-pyrimidin-4-ol
SMILES [?]:
CCCCCc1c(nc(nc1O)N)C
InChi [?]:
InChI=1/C10H17N3O/c1-3-4-5-6-8-7(2)12-10(11)13-9(8)14/h3-6H2,1-2H3,(H3,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,4,5,7,6,11,9,13,8,10,12/rA:14nCCCCCCCNCNCONC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93227 |
Area: | 390.862 |
Solvation: | -1.83928 |
Coulombic: | -45.0324 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.262 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.45 |
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 |
---|