1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione

C9H9F3N2O2 — CID 11139039

IUPAC1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione
SMILESCc1c(C(F)=C(F)F)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H9F3N2O2/c1-4-5(6(10)7(11)12)8(15)14(3)9(16)13(4)2/h1-3H3
InChIKeyODKZNZTWYMWDRG-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.93
Rot. Bonds1

About 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione

1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione (PubChem CID 11139039) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione
PubChem CID11139039
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione
SMILESCc1c(C(F)=C(F)F)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H9F3N2O2/c1-4-5(6(10)7(11)12)8(15)14(3)9(16)13(4)2/h1-3H3
InChIKeyODKZNZTWYMWDRG-UHFFFAOYSA-N
XLogP0.93
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione (CID 11139039) is 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione is Cc1c(C(F)=C(F)F)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione?
The InChIKey is ODKZNZTWYMWDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-4-5(6(10)7(11)12)8(15)14(3)9(16)13(4)2/h1-3H3.
What are the key properties of 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione has a molecular weight of 234.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11139039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).