Chemical ID: 4741496

c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
Chemical ID:
4741496
Name [?]:
4-(2-aminophenyl)amino-2-oxo-1-(2-thienylmethyl)pyrimidine-5-carbonitrile
SMILES [?]:
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13N5OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4063
Area:521.803
Solvation:-2.63879
Coulombic:-57.2215
Bond Count [?]
All:25
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:323.374
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.89
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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