Chemical ID: 5993048

CC1=C(C(NC(=S)N1C)c2cccc(c2)N)C(=O)OC
Chemical ID:
5993048
Name [?]:
methyl 4-(3-aminophenyl)-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=S)N1C)c2cccc(c2)N)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.39651
Area:455.871
Solvation:-2.00025
Coulombic:-55.5631
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.37
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.55
LogP (Chemaxon):0.42

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