1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine

C20H20FN5 — CID 56767086

IUPAC1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cc(-c3cccnc3)nc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C20H20FN5/c21-16-5-1-3-14(11-16)20-24-18(15-4-2-8-23-13-15)12-19(25-20)26-9-6-17(22)7-10-26/h1-5,8,11-13,17H,6-7,9-10,22H2
InChIKeyUHONMLHTCXBLAV-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.27
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine

1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine (PubChem CID 56767086) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine
PubChem CID56767086
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cc(-c3cccnc3)nc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C20H20FN5/c21-16-5-1-3-14(11-16)20-24-18(15-4-2-8-23-13-15)12-19(25-20)26-9-6-17(22)7-10-26/h1-5,8,11-13,17H,6-7,9-10,22H2
InChIKeyUHONMLHTCXBLAV-UHFFFAOYSA-N
XLogP3.27
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine (CID 56767086) is 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine is NC1CCN(c2cc(-c3cccnc3)nc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine?
The InChIKey is UHONMLHTCXBLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-16-5-1-3-14(11-16)20-24-18(15-4-2-8-23-13-15)12-19(25-20)26-9-6-17(22)7-10-26/h1-5,8,11-13,17H,6-7,9-10,22H2.
What are the key properties of 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine?
1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine has a molecular weight of 349.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 56767086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).