1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione

C13H12F2N2O2 — CID 116790659

IUPAC1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(F)(F)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12F2N2O2/c1-9-7-17(12(19)16-11(9)18)8-13(14,15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyIDPXHUTZNOOXRT-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.64
Rot. Bonds3

About 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione

1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 116790659) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione
PubChem CID116790659
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(F)(F)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12F2N2O2/c1-9-7-17(12(19)16-11(9)18)8-13(14,15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyIDPXHUTZNOOXRT-UHFFFAOYSA-N
XLogP1.64
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione (CID 116790659) is 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CC(F)(F)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is IDPXHUTZNOOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-9-7-17(12(19)16-11(9)18)8-13(14,15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18,19).
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione?
1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 266.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 116790659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).