(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one

C10H11F3N4O — CID 94219227

IUPAC(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-3-5-15-9(17-7)16-6-2-1-4-14-8(6)18/h3,5-6H,1-2,4H2,(H,14,18)(H,15,16,17)/t6-/m0/s1
InChIKeyPJAYUZZCMBIZOK-LURJTMIESA-N
MW260.22 g/mol
LogP1.19
Rot. Bonds2

About (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one

(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one (PubChem CID 94219227) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one
PubChem CID94219227
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-3-5-15-9(17-7)16-6-2-1-4-14-8(6)18/h3,5-6H,1-2,4H2,(H,14,18)(H,15,16,17)/t6-/m0/s1
InChIKeyPJAYUZZCMBIZOK-LURJTMIESA-N
XLogP1.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one?
The IUPAC name of (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one (CID 94219227) is (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one.
What is the SMILES notation for (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one?
The canonical SMILES for (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one is O=C1NCCC[C@@H]1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one?
The InChIKey is PJAYUZZCMBIZOK-LURJTMIESA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7-3-5-15-9(17-7)16-6-2-1-4-14-8(6)18/h3,5-6H,1-2,4H2,(H,14,18)(H,15,16,17)/t6-/m0/s1.
What are the key properties of (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one?
(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one has a molecular weight of 260.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 94219227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).