2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

C12H15F3N4O — CID 124968809

IUPAC2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nc([C@@H]2CCCN2CC(N)=O)n1
InChIInChI=1S/C12H15F3N4O/c1-7-5-9(12(13,14)15)18-11(17-7)8-3-2-4-19(8)6-10(16)20/h5,8H,2-4,6H2,1H3,(H2,16,20)/t8-/m0/s1
InChIKeyJDWKXFVJAMZRMT-QMMMGPOBSA-N
MW288.27 g/mol
LogP1.43
Rot. Bonds3

About 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 124968809) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID124968809
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nc([C@@H]2CCCN2CC(N)=O)n1
InChIInChI=1S/C12H15F3N4O/c1-7-5-9(12(13,14)15)18-11(17-7)8-3-2-4-19(8)6-10(16)20/h5,8H,2-4,6H2,1H3,(H2,16,20)/t8-/m0/s1
InChIKeyJDWKXFVJAMZRMT-QMMMGPOBSA-N
XLogP1.43
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (CID 124968809) is 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is Cc1cc(C(F)(F)F)nc([C@@H]2CCCN2CC(N)=O)n1.
What is the InChIKey of 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is JDWKXFVJAMZRMT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-7-5-9(12(13,14)15)18-11(17-7)8-3-2-4-19(8)6-10(16)20/h5,8H,2-4,6H2,1H3,(H2,16,20)/t8-/m0/s1.
What are the key properties of 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124968809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).