3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C9H11F3N2O2 — CID 137454044

IUPAC3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1c(C(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-3-4-14-6(9(10,11)12)5-7(15)13(2)8(14)16/h5H,3-4H2,1-2H3
InChIKeyJKTQMZSSSBIRLJ-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.98
Rot. Bonds2

About 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 137454044) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID137454044
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1c(C(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C9H11F3N2O2/c1-3-4-14-6(9(10,11)12)5-7(15)13(2)8(14)16/h5H,3-4H2,1-2H3
InChIKeyJKTQMZSSSBIRLJ-UHFFFAOYSA-N
XLogP0.98
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 137454044) is 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CCCn1c(C(F)(F)F)cc(=O)n(C)c1=O.
What is the InChIKey of 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is JKTQMZSSSBIRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-3-4-14-6(9(10,11)12)5-7(15)13(2)8(14)16/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 236.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137454044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).