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

C13H16F3N3O2 — CID 146084746

IUPAC2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cnc(C2CCC2)cc1=O
InChIInChI=1S/C13H16F3N3O2/c1-18(7-13(14,15)16)12(21)6-19-8-17-10(5-11(19)20)9-3-2-4-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyPXMMPYXIMGGWMJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.53
Rot. Bonds4

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

2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 146084746) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID146084746
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cnc(C2CCC2)cc1=O
InChIInChI=1S/C13H16F3N3O2/c1-18(7-13(14,15)16)12(21)6-19-8-17-10(5-11(19)20)9-3-2-4-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyPXMMPYXIMGGWMJ-UHFFFAOYSA-N
XLogP1.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 146084746) is 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cn1cnc(C2CCC2)cc1=O.
What is the InChIKey of 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PXMMPYXIMGGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-18(7-13(14,15)16)12(21)6-19-8-17-10(5-11(19)20)9-3-2-4-9/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 303.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 146084746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).