1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione

C20H16Cl2F2N2O3 — CID 123725113

IUPAC1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(C[C@H](F)c2ccc(Cl)cc2)c(=O)n1C[C@@H](F)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2F2N2O3/c21-14-5-1-12(2-6-14)16(23)10-25-18(27)9-19(28)26(20(25)29)11-17(24)13-3-7-15(22)8-4-13/h1-9,16-17,27H,10-11H2/t16-,17+/m0/s1
InChIKeyQOXDYSZFPGPYFI-DLBZAZTESA-N
MW441.26 g/mol
LogP4.44
Rot. Bonds6

About 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione

1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 123725113) has the molecular formula C20H16Cl2F2N2O3 and a molecular weight of 441.26 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID123725113
Molecular FormulaC20H16Cl2F2N2O3
Molecular Weight441.26 g/mol
Exact Mass440.05
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(C[C@H](F)c2ccc(Cl)cc2)c(=O)n1C[C@@H](F)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2F2N2O3/c21-14-5-1-12(2-6-14)16(23)10-25-18(27)9-19(28)26(20(25)29)11-17(24)13-3-7-15(22)8-4-13/h1-9,16-17,27H,10-11H2/t16-,17+/m0/s1
InChIKeyQOXDYSZFPGPYFI-DLBZAZTESA-N
XLogP4.44
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione (CID 123725113) is 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione is O=c1cc(O)n(C[C@H](F)c2ccc(Cl)cc2)c(=O)n1C[C@@H](F)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is QOXDYSZFPGPYFI-DLBZAZTESA-N. The full InChI is InChI=1S/C20H16Cl2F2N2O3/c21-14-5-1-12(2-6-14)16(23)10-25-18(27)9-19(28)26(20(25)29)11-17(24)13-3-7-15(22)8-4-13/h1-9,16-17,27H,10-11H2/t16-,17+/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione?
1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 441.26 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 123725113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).