5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine

C15H17FN4 — CID 62901333

IUPAC5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCCC2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4/c16-12-6-4-11(5-7-12)13-10-18-15(19-14(13)17)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H2,17,18,19)
InChIKeyOVOIMIUZDXSFPX-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.86
Rot. Bonds2

About 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine

5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 62901333) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID62901333
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCCC2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4/c16-12-6-4-11(5-7-12)13-10-18-15(19-14(13)17)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H2,17,18,19)
InChIKeyOVOIMIUZDXSFPX-UHFFFAOYSA-N
XLogP2.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine (CID 62901333) is 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine is Nc1nc(N2CCCCC2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is OVOIMIUZDXSFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-12-6-4-11(5-7-12)13-10-18-15(19-14(13)17)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H2,17,18,19).
What are the key properties of 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine?
5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 272.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 62901333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).