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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Related Compounds

N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
2-Methyl-6-(2-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}ethyl)pyrimidin-4-OL
CID 136185556
4-(2-Methylpyrimidin-4-yl)pyrrolidin-2-one
CID 115529931
2-{[6-(2-aminoethyl)pyrimidin-4-yl]amino}-N-(tert-butyl)acetamide
CID 56702333
4-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
CID 56862186
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}ethyl)imidazolidin-2-one
CID 56862662
N-[(1-isobutyrylpiperidin-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862777
N~2~-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-D-alaninamide
CID 56878331
N-[3-(4-isopropylpiperazin-1-yl)-3-oxopropyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56879401
1-(2-Methylpyrimidin-4-yl)cyclopropan-1-amine
CID 82594692
6-({[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}methyl)pyrimidin-4-OL
CID 136147204

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).