6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione

C13H12ClFN2O2 — CID 143152660

IUPAC6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCCc1ccc(-n2c(Cl)cc(=O)n(C)c2=O)c(F)c1
InChIInChI=1S/C13H12ClFN2O2/c1-3-8-4-5-10(9(15)6-8)17-11(14)7-12(18)16(2)13(17)19/h4-7H,3H2,1-2H3
InChIKeyCNAUGWPVBQZCAC-UHFFFAOYSA-N
MW282.70 g/mol
LogP1.89
Rot. Bonds2

About 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione

6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione (PubChem CID 143152660) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione
PubChem CID143152660
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCCc1ccc(-n2c(Cl)cc(=O)n(C)c2=O)c(F)c1
InChIInChI=1S/C13H12ClFN2O2/c1-3-8-4-5-10(9(15)6-8)17-11(14)7-12(18)16(2)13(17)19/h4-7H,3H2,1-2H3
InChIKeyCNAUGWPVBQZCAC-UHFFFAOYSA-N
XLogP1.89
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione (CID 143152660) is 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione is CCc1ccc(-n2c(Cl)cc(=O)n(C)c2=O)c(F)c1.
What is the InChIKey of 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is CNAUGWPVBQZCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-3-8-4-5-10(9(15)6-8)17-11(14)7-12(18)16(2)13(17)19/h4-7H,3H2,1-2H3.
What are the key properties of 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione?
6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 282.70 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-ethyl-2-fluorophenyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 143152660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).