5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine

C15H17FN4 — CID 162748564

IUPAC5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccccc2)nc1C1CCNCC1
InChIInChI=1S/C15H17FN4/c16-13-10-18-15(19-12-4-2-1-3-5-12)20-14(13)11-6-8-17-9-7-11/h1-5,10-11,17H,6-9H2,(H,18,19,20)
InChIKeyWCLASYSSVDCAAQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.83
Rot. Bonds3

About 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine

5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine (PubChem CID 162748564) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine
PubChem CID162748564
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccccc2)nc1C1CCNCC1
InChIInChI=1S/C15H17FN4/c16-13-10-18-15(19-12-4-2-1-3-5-12)20-14(13)11-6-8-17-9-7-11/h1-5,10-11,17H,6-9H2,(H,18,19,20)
InChIKeyWCLASYSSVDCAAQ-UHFFFAOYSA-N
XLogP2.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine (CID 162748564) is 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine is Fc1cnc(Nc2ccccc2)nc1C1CCNCC1.
What is the InChIKey of 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is WCLASYSSVDCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-13-10-18-15(19-12-4-2-1-3-5-12)20-14(13)11-6-8-17-9-7-11/h1-5,10-11,17H,6-9H2,(H,18,19,20).
What are the key properties of 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine?
5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 272.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 162748564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).