1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione

C20H18F2N2O3 — CID 123775542

IUPAC1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(C[C@H](F)c2ccccc2)c(=O)n1C[C@H](F)c1ccccc1
InChIInChI=1S/C20H18F2N2O3/c21-16(14-7-3-1-4-8-14)12-23-18(25)11-19(26)24(20(23)27)13-17(22)15-9-5-2-6-10-15/h1-11,16-17,25H,12-13H2/t16-,17-/m0/s1
InChIKeyAIVDFMJPKSLAQK-IRXDYDNUSA-N
MW372.37 g/mol
LogP3.14
Rot. Bonds6

About 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione

1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 123775542) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID123775542
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(C[C@H](F)c2ccccc2)c(=O)n1C[C@H](F)c1ccccc1
InChIInChI=1S/C20H18F2N2O3/c21-16(14-7-3-1-4-8-14)12-23-18(25)11-19(26)24(20(23)27)13-17(22)15-9-5-2-6-10-15/h1-11,16-17,25H,12-13H2/t16-,17-/m0/s1
InChIKeyAIVDFMJPKSLAQK-IRXDYDNUSA-N
XLogP3.14
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 123962154
1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione
CID 123725113
1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 91209277
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 91334185
3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 91386998
4-fluoro-4-phenylbutan-1-ol
CID 57250871
1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319775
6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 10939797
2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid
CID 135221495
6-fluoro-6-phenylhexanoic acid
CID 70054294

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione (CID 123775542) is 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione is O=c1cc(O)n(C[C@H](F)c2ccccc2)c(=O)n1C[C@H](F)c1ccccc1.
What is the InChIKey of 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is AIVDFMJPKSLAQK-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c21-16(14-7-3-1-4-8-14)12-23-18(25)11-19(26)24(20(23)27)13-17(22)15-9-5-2-6-10-15/h1-11,16-17,25H,12-13H2/t16-,17-/m0/s1.
What are the key properties of 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione?
1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 372.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 123775542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).