2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide

C8H8F3N3O — CID 122263474

IUPAC2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)C(F)(F)F)ncn1
InChIInChI=1S/C8H8F3N3O/c1-5-2-6(14-4-13-5)3-12-7(15)8(9,10)11/h2,4H,3H2,1H3,(H,12,15)
InChIKeyAZIVJEDYMGJDPM-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.96
Rot. Bonds2

About 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122263474) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID122263474
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)C(F)(F)F)ncn1
InChIInChI=1S/C8H8F3N3O/c1-5-2-6(14-4-13-5)3-12-7(15)8(9,10)11/h2,4H,3H2,1H3,(H,12,15)
InChIKeyAZIVJEDYMGJDPM-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
(E)-4,4,4-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]but-2-enamide
CID 167765691
N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122263448
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263270
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide (CID 122263474) is 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide is Cc1cc(CNC(=O)C(F)(F)F)ncn1.
What is the InChIKey of 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is AZIVJEDYMGJDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-5-2-6(14-4-13-5)3-12-7(15)8(9,10)11/h2,4H,3H2,1H3,(H,12,15).
What are the key properties of 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 219.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122263474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).