4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine

C17H20F2N4 — CID 56896230

IUPAC4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCCC(CCc3ccc(F)cc3F)C2)n1
InChIInChI=1S/C17H20F2N4/c18-14-6-5-13(15(19)10-14)4-3-12-2-1-9-23(11-12)16-7-8-21-17(20)22-16/h5-8,10,12H,1-4,9,11H2,(H2,20,21,22)
InChIKeyNMKDIFKCDMKUMZ-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.19
Rot. Bonds4

About 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine

4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 56896230) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID56896230
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCCC(CCc3ccc(F)cc3F)C2)n1
InChIInChI=1S/C17H20F2N4/c18-14-6-5-13(15(19)10-14)4-3-12-2-1-9-23(11-12)16-7-8-21-17(20)22-16/h5-8,10,12H,1-4,9,11H2,(H2,20,21,22)
InChIKeyNMKDIFKCDMKUMZ-UHFFFAOYSA-N
XLogP3.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine (CID 56896230) is 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine is Nc1nccc(N2CCCC(CCc3ccc(F)cc3F)C2)n1.
What is the InChIKey of 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is NMKDIFKCDMKUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c18-14-6-5-13(15(19)10-14)4-3-12-2-1-9-23(11-12)16-7-8-21-17(20)22-16/h5-8,10,12H,1-4,9,11H2,(H2,20,21,22).
What are the key properties of 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine?
4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 318.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 56896230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).