(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one

C21H19FN4O — CID 90313369

IUPAC(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one
SMILESO=C1NCCC[C@H]1Nc1ncc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C21H19FN4O/c22-19-16(14-6-2-1-3-7-14)8-4-9-17(19)15-12-24-21(25-13-15)26-18-10-5-11-23-20(18)27/h1-4,6-9,12-13,18H,5,10-11H2,(H,23,27)(H,24,25,26)/t18-/m1/s1
InChIKeySTGQDLUVDSNUQA-GOSISDBHSA-N
MW362.41 g/mol
LogP3.64
Rot. Bonds4

About (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one

(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one (PubChem CID 90313369) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one
PubChem CID90313369
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one
SMILESO=C1NCCC[C@H]1Nc1ncc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C21H19FN4O/c22-19-16(14-6-2-1-3-7-14)8-4-9-17(19)15-12-24-21(25-13-15)26-18-10-5-11-23-20(18)27/h1-4,6-9,12-13,18H,5,10-11H2,(H,23,27)(H,24,25,26)/t18-/m1/s1
InChIKeySTGQDLUVDSNUQA-GOSISDBHSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one?
The IUPAC name of (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one (CID 90313369) is (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one.
What is the SMILES notation for (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one?
The canonical SMILES for (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one is O=C1NCCC[C@H]1Nc1ncc(-c2cccc(-c3ccccc3)c2F)cn1.
What is the InChIKey of (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one?
The InChIKey is STGQDLUVDSNUQA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-19-16(14-6-2-1-3-7-14)8-4-9-17(19)15-12-24-21(25-13-15)26-18-10-5-11-23-20(18)27/h1-4,6-9,12-13,18H,5,10-11H2,(H,23,27)(H,24,25,26)/t18-/m1/s1.
What are the key properties of (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one?
(3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one has a molecular weight of 362.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-(2-fluoro-3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 90313369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).