Chemical ID: 4517002

CCCCc1c(nc(nc1O)N)C
Chemical ID:
4517002
Name [?]:
2-amino-5-butyl-6-methyl-pyrimidin-4-ol
SMILES [?]:
CCCCc1c(nc(nc1O)N)C
InChi [?]:
InChI=1/C9H15N3O/c1-3-4-5-7-6(2)11-9(10)12-8(7)13/h3-5H2,1-2H3,(H3,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,4,6,5,10,8,12,7,9,11/rA:13nCCCCCCNCNCONC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s8;s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15N3O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.22363
Area:363.644
Solvation:-1.86748
Coulombic:-44.73
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.235
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):2.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue