5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine

C25H29FN4 — CID 58603403

IUPAC5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine
SMILESFc1cnc(NCCc2ccccc2)nc1-c1cccc(CCC2CCNCC2)c1
InChIInChI=1S/C25H29FN4/c26-23-18-29-25(28-16-13-19-5-2-1-3-6-19)30-24(23)22-8-4-7-21(17-22)10-9-20-11-14-27-15-12-20/h1-8,17-18,20,27H,9-16H2,(H,28,29,30)
InChIKeyDSTDTJRXNDOBEG-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.87
Rot. Bonds8

About 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine

5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine (PubChem CID 58603403) has the molecular formula C25H29FN4 and a molecular weight of 404.53 g/mol. Its IUPAC name is 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine
PubChem CID58603403
Molecular FormulaC25H29FN4
Molecular Weight404.53 g/mol
Exact Mass404.24
IUPAC Name5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine
SMILESFc1cnc(NCCc2ccccc2)nc1-c1cccc(CCC2CCNCC2)c1
InChIInChI=1S/C25H29FN4/c26-23-18-29-25(28-16-13-19-5-2-1-3-6-19)30-24(23)22-8-4-7-21(17-22)10-9-20-11-14-27-15-12-20/h1-8,17-18,20,27H,9-16H2,(H,28,29,30)
InChIKeyDSTDTJRXNDOBEG-UHFFFAOYSA-N
XLogP4.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine (CID 58603403) is 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine is Fc1cnc(NCCc2ccccc2)nc1-c1cccc(CCC2CCNCC2)c1.
What is the InChIKey of 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine?
The InChIKey is DSTDTJRXNDOBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4/c26-23-18-29-25(28-16-13-19-5-2-1-3-6-19)30-24(23)22-8-4-7-21(17-22)10-9-20-11-14-27-15-12-20/h1-8,17-18,20,27H,9-16H2,(H,28,29,30).
What are the key properties of 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine?
5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine has a molecular weight of 404.53 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 58603403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).