2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O2 — CID 135931992

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H12F3N3O2/c1-5-7(9(18)16-6(2)15-5)3-8(17)14-4-10(11,12)13/h3-4H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyHPAWAPHYCFZEIZ-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.61
Rot. Bonds3

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 135931992) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID135931992
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H12F3N3O2/c1-5-7(9(18)16-6(2)15-5)3-8(17)14-4-10(11,12)13/h3-4H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyHPAWAPHYCFZEIZ-UHFFFAOYSA-N
XLogP0.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 135931992) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(C)c(CC(=O)NCC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HPAWAPHYCFZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-7(9(18)16-6(2)15-5)3-8(17)14-4-10(11,12)13/h3-4H2,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 135931992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).