3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide

C8H8F3N3O — CID 91180844

IUPAC3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide
SMILESCc1nccc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-5-12-3-2-6(13-5)14-7(15)4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13,14,15)
InChIKeyDFBVSSXMRHRBFG-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.68
Rot. Bonds2

About 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide

3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide (PubChem CID 91180844) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide
PubChem CID91180844
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide
SMILESCc1nccc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-5-12-3-2-6(13-5)14-7(15)4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13,14,15)
InChIKeyDFBVSSXMRHRBFG-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetoacetamidopyrimidine
CID 249238
2-Acetamidopyrimidine
CID 273584
2-(Trifluoromethyl)pyrimidin-4-amine
CID 244056
1-(2-Pyrimidinyl)-3-(2,2,2-trifluoroethyl)urea
CID 659628
N-(6-acetamidopyrimidin-4-yl)acetamide
CID 245687
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-3-pyrimidin-2-ylurea
CID 658898
N,2-dimethylpyrimidin-4-amine
CID 13925310
N-(pyrimidin-2-yl)prop-2-enamide
CID 43616335
N-(pyrimidin-2-yl)-2,2-bis(trifluoromethyl)butanamide
CID 659676
3,3,3-trifluoro-2-methyl-N-(pyrimidin-2-yl)-2-(trifluoromethyl)propanamide
CID 1931180
2,2-dimethyl-N-(pyrimidin-2-yl)propanamide
CID 3524781
N-(2-pyrimidyl) butanamide
CID 4220870

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide (CID 91180844) is 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide is Cc1nccc(NC(=O)CC(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide?
The InChIKey is DFBVSSXMRHRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-5-12-3-2-6(13-5)14-7(15)4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13,14,15).
What are the key properties of 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide?
3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide has a molecular weight of 219.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-methylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 91180844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).