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

C9H10F3N3O2 — CID 139023608

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c1-6-2-8(17)15(5-14-6)3-7(16)13-4-9(10,11)12/h2,5H,3-4H2,1H3,(H,13,16)
InChIKeyKYNWYWBGFSINJB-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.23
Rot. Bonds3

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

2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 139023608) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID139023608
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c1-6-2-8(17)15(5-14-6)3-7(16)13-4-9(10,11)12/h2,5H,3-4H2,1H3,(H,13,16)
InChIKeyKYNWYWBGFSINJB-UHFFFAOYSA-N
XLogP0.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 139023608) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(=O)n(CC(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KYNWYWBGFSINJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-6-2-8(17)15(5-14-6)3-7(16)13-4-9(10,11)12/h2,5H,3-4H2,1H3,(H,13,16).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 249.19 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 139023608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).