5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione

C20H19FN2O2 — CID 130246360

IUPAC5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(CCc2ccccc2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C20H19FN2O2/c21-18-15-22(13-11-16-7-3-1-4-8-16)20(25)23(19(18)24)14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyVQIJBTBYYHIKMI-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.63
Rot. Bonds6

About 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione

5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 130246360) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID130246360
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(CCc2ccccc2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C20H19FN2O2/c21-18-15-22(13-11-16-7-3-1-4-8-16)20(25)23(19(18)24)14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyVQIJBTBYYHIKMI-UHFFFAOYSA-N
XLogP2.63
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione (CID 130246360) is 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione is O=c1c(F)cn(CCc2ccccc2)c(=O)n1CCc1ccccc1.
What is the InChIKey of 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is VQIJBTBYYHIKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-18-15-22(13-11-16-7-3-1-4-8-16)20(25)23(19(18)24)14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 338.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 130246360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).