2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O2 — CID 99825431

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncn(CC(=O)NCC(F)(F)F)c(=O)c1C
InChIInChI=1S/C10H12F3N3O2/c1-6-7(2)15-5-16(9(6)18)3-8(17)14-4-10(11,12)13/h5H,3-4H2,1-2H3,(H,14,17)
InChIKeyWXTXIENWCRTYDX-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.54
Rot. Bonds3

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 99825431) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID99825431
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncn(CC(=O)NCC(F)(F)F)c(=O)c1C
InChIInChI=1S/C10H12F3N3O2/c1-6-7(2)15-5-16(9(6)18)3-8(17)14-4-10(11,12)13/h5H,3-4H2,1-2H3,(H,14,17)
InChIKeyWXTXIENWCRTYDX-UHFFFAOYSA-N
XLogP0.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 99825431) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ncn(CC(=O)NCC(F)(F)F)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WXTXIENWCRTYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6-7(2)15-5-16(9(6)18)3-8(17)14-4-10(11,12)13/h5H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 99825431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).