4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide

C11H14F3N3O2 — CID 136662312

IUPAC4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O2/c1-7-16-8(6-10(19)17-7)3-5-15-9(18)2-4-11(12,13)14/h6H,2-5H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyBPQCBGBYRRZWSC-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.08
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide

4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide (PubChem CID 136662312) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide
PubChem CID136662312
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O2/c1-7-16-8(6-10(19)17-7)3-5-15-9(18)2-4-11(12,13)14/h6H,2-5H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyBPQCBGBYRRZWSC-UHFFFAOYSA-N
XLogP1.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide (CID 136662312) is 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide is Cc1nc(CCNC(=O)CCC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide?
The InChIKey is BPQCBGBYRRZWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7-16-8(6-10(19)17-7)3-5-15-9(18)2-4-11(12,13)14/h6H,2-5H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide has a molecular weight of 277.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 136662312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).