N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide

C8H8F3N3O — CID 130272350

IUPACN-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H8F3N3O/c1-2-6(15)14-5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3,(H,14,15)
InChIKeyIHKUCNPILMBWKL-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.84
Rot. Bonds2

About N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide

N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide (PubChem CID 130272350) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide
PubChem CID130272350
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C8H8F3N3O/c1-2-6(15)14-5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3,(H,14,15)
InChIKeyIHKUCNPILMBWKL-UHFFFAOYSA-N
XLogP1.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The IUPAC name of N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide (CID 130272350) is N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The canonical SMILES for N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide is CCC(=O)Nc1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The InChIKey is IHKUCNPILMBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-2-6(15)14-5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide has a molecular weight of 219.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 130272350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).