N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide

C10H12F3N3O — CID 66919737

IUPACN-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6(17)16-9(2,3)7-4-5-14-8(15-7)10(11,12)13/h4-5H,1-3H3,(H,16,17)
InChIKeyALKOOWQASZAFDA-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.87
Rot. Bonds2

About N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide

N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide (PubChem CID 66919737) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide
PubChem CID66919737
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6(17)16-9(2,3)7-4-5-14-8(15-7)10(11,12)13/h4-5H,1-3H3,(H,16,17)
InChIKeyALKOOWQASZAFDA-UHFFFAOYSA-N
XLogP1.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide (CID 66919737) is N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide?
The InChIKey is ALKOOWQASZAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(17)16-9(2,3)7-4-5-14-8(15-7)10(11,12)13/h4-5H,1-3H3,(H,16,17).
What are the key properties of N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide?
N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide is sourced from PubChem (CID 66919737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).