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

C10H13F3N2O2 — CID 167416144

IUPAC3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H13F3N2O2/c1-9(2,3)15-7(16)5-6(10(11,12)13)14(4)8(15)17/h5H,1-4H3
InChIKeyHBZCGYVNVUGSGN-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.32
Rot. Bonds

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

3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 167416144) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID167416144
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H13F3N2O2/c1-9(2,3)15-7(16)5-6(10(11,12)13)14(4)8(15)17/h5H,1-4H3
InChIKeyHBZCGYVNVUGSGN-UHFFFAOYSA-N
XLogP1.32
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 167416144) is 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is HBZCGYVNVUGSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-9(2,3)15-7(16)5-6(10(11,12)13)14(4)8(15)17/h5H,1-4H3.
What are the key properties of 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 250.22 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 167416144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).