2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine

C20H20FN5 — CID 56766985

IUPAC2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1nc(NC2CCNCC2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H20FN5/c21-17-4-2-1-3-16(17)20-25-18(14-5-9-22-10-6-14)13-19(26-20)24-15-7-11-23-12-8-15/h1-6,9-10,13,15,23H,7-8,11-12H2,(H,24,25,26)
InChIKeyHPIUTZYMRAGDRP-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.51
Rot. Bonds4

About 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine

2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine (PubChem CID 56766985) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine
PubChem CID56766985
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1nc(NC2CCNCC2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H20FN5/c21-17-4-2-1-3-16(17)20-25-18(14-5-9-22-10-6-14)13-19(26-20)24-15-7-11-23-12-8-15/h1-6,9-10,13,15,23H,7-8,11-12H2,(H,24,25,26)
InChIKeyHPIUTZYMRAGDRP-UHFFFAOYSA-N
XLogP3.51
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine (CID 56766985) is 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine is Fc1ccccc1-c1nc(NC2CCNCC2)cc(-c2ccncc2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is HPIUTZYMRAGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-17-4-2-1-3-16(17)20-25-18(14-5-9-22-10-6-14)13-19(26-20)24-15-7-11-23-12-8-15/h1-6,9-10,13,15,23H,7-8,11-12H2,(H,24,25,26).
What are the key properties of 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine?
2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 349.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56766985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).