1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C9H11F3N2O2 — CID 70256396

IUPAC1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCCn1c(C(F)(F)F)cc(=O)[nH]c1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-3-4-14-6(9(10,11)12)5-7(15)13-8(14)16/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyRVLXQMQJFPWDJB-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.36
Rot. Bonds3

About 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione

1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 70256396) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID70256396
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCCn1c(C(F)(F)F)cc(=O)[nH]c1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-3-4-14-6(9(10,11)12)5-7(15)13-8(14)16/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyRVLXQMQJFPWDJB-UHFFFAOYSA-N
XLogP1.36
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 70256396) is 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CCCCn1c(C(F)(F)F)cc(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is RVLXQMQJFPWDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-3-4-14-6(9(10,11)12)5-7(15)13-8(14)16/h5H,2-4H2,1H3,(H,13,15,16).
What are the key properties of 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 236.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 70256396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).