(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one

C11H15FN4O — CID 128563070

IUPAC(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1nc(C)c(F)c(N[C@H]2CCCNC2=O)n1
InChIInChI=1S/C11H15FN4O/c1-6-9(12)10(15-7(2)14-6)16-8-4-3-5-13-11(8)17/h8H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t8-/m0/s1
InChIKeyRFWBZZSHTIOCQY-QMMMGPOBSA-N
MW238.27 g/mol
LogP0.92
Rot. Bonds2

About (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one

(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 128563070) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
PubChem CID128563070
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1nc(C)c(F)c(N[C@H]2CCCNC2=O)n1
InChIInChI=1S/C11H15FN4O/c1-6-9(12)10(15-7(2)14-6)16-8-4-3-5-13-11(8)17/h8H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t8-/m0/s1
InChIKeyRFWBZZSHTIOCQY-QMMMGPOBSA-N
XLogP0.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one (CID 128563070) is (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one is Cc1nc(C)c(F)c(N[C@H]2CCCNC2=O)n1.
What is the InChIKey of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is RFWBZZSHTIOCQY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-6-9(12)10(15-7(2)14-6)16-8-4-3-5-13-11(8)17/h8H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t8-/m0/s1.
What are the key properties of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 128563070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).