2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide

C12H17F3N4O — CID 59137275

IUPAC2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCC(C)c1ccnc(NC[C@@H](C)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-7(2)9-4-5-16-11(19-9)17-6-8(3)18-10(20)12(13,14)15/h4-5,7-8H,6H2,1-3H3,(H,18,20)(H,16,17,19)/t8-/m1/s1
InChIKeyHORBQDOPVPXMMO-MRVPVSSYSA-N
MW290.29 g/mol
LogP2.08
Rot. Bonds5

About 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide

2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (PubChem CID 59137275) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
PubChem CID59137275
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCC(C)c1ccnc(NC[C@@H](C)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-7(2)9-4-5-16-11(19-9)17-6-8(3)18-10(20)12(13,14)15/h4-5,7-8H,6H2,1-3H3,(H,18,20)(H,16,17,19)/t8-/m1/s1
InChIKeyHORBQDOPVPXMMO-MRVPVSSYSA-N
XLogP2.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (CID 59137275) is 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is CC(C)c1ccnc(NC[C@@H](C)NC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The InChIKey is HORBQDOPVPXMMO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(2)9-4-5-16-11(19-9)17-6-8(3)18-10(20)12(13,14)15/h4-5,7-8H,6H2,1-3H3,(H,18,20)(H,16,17,19)/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 59137275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).