1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione

C10H9F5N2O2 — CID 11991502

IUPAC1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESCc1c(/C(F)=C(\F)C(F)(F)F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H9F5N2O2/c1-4-6(5(11)7(12)10(13,14)15)16(2)9(19)17(3)8(4)18/h1-3H3/b7-5+
InChIKeyVBMUOGBSILVVOZ-FNORWQNLSA-N
MW284.18 g/mol
LogP1.56
Rot. Bonds1

About 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione

1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione (PubChem CID 11991502) has the molecular formula C10H9F5N2O2 and a molecular weight of 284.18 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
PubChem CID11991502
Molecular FormulaC10H9F5N2O2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESCc1c(/C(F)=C(\F)C(F)(F)F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H9F5N2O2/c1-4-6(5(11)7(12)10(13,14)15)16(2)9(19)17(3)8(4)18/h1-3H3/b7-5+
InChIKeyVBMUOGBSILVVOZ-FNORWQNLSA-N
XLogP1.56
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione (CID 11991502) is 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione is Cc1c(/C(F)=C(\F)C(F)(F)F)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is VBMUOGBSILVVOZ-FNORWQNLSA-N. The full InChI is InChI=1S/C10H9F5N2O2/c1-4-6(5(11)7(12)10(13,14)15)16(2)9(19)17(3)8(4)18/h1-3H3/b7-5+.
What are the key properties of 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 284.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11991502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).