5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione

C12H11ClFN3O2 — CID 66425186

IUPAC5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCNc2ccccc2F)cc1Cl
InChIInChI=1S/C12H11ClFN3O2/c13-8-7-17(12(19)16-11(8)18)6-5-15-10-4-2-1-3-9(10)14/h1-4,7,15H,5-6H2,(H,16,18,19)
InChIKeySHEJDFUJNOLCMB-UHFFFAOYSA-N
MW283.69 g/mol
LogP1.44
Rot. Bonds4

About 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione (PubChem CID 66425186) has the molecular formula C12H11ClFN3O2 and a molecular weight of 283.69 g/mol. Its IUPAC name is 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione
PubChem CID66425186
Molecular FormulaC12H11ClFN3O2
Molecular Weight283.69 g/mol
Exact Mass283.05
IUPAC Name5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCNc2ccccc2F)cc1Cl
InChIInChI=1S/C12H11ClFN3O2/c13-8-7-17(12(19)16-11(8)18)6-5-15-10-4-2-1-3-9(10)14/h1-4,7,15H,5-6H2,(H,16,18,19)
InChIKeySHEJDFUJNOLCMB-UHFFFAOYSA-N
XLogP1.44
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione (CID 66425186) is 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCNc2ccccc2F)cc1Cl.
What is the InChIKey of 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione?
The InChIKey is SHEJDFUJNOLCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2/c13-8-7-17(12(19)16-11(8)18)6-5-15-10-4-2-1-3-9(10)14/h1-4,7,15H,5-6H2,(H,16,18,19).
What are the key properties of 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione has a molecular weight of 283.69 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66425186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).