5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine

C26H29F2N3 — CID 58199905

IUPAC5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine
SMILESFc1cccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)c1
InChIInChI=1S/C26H29F2N3/c27-23-8-2-5-20(17-23)6-3-9-25-30-18-24(28)26(31-25)22-7-1-4-21(16-22)11-10-19-12-14-29-15-13-19/h1-2,4-5,7-8,16-19,29H,3,6,9-15H2
InChIKeySZVHADCGVYOQKO-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.53
Rot. Bonds8

About 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine

5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine (PubChem CID 58199905) has the molecular formula C26H29F2N3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine
PubChem CID58199905
Molecular FormulaC26H29F2N3
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine
SMILESFc1cccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)c1
InChIInChI=1S/C26H29F2N3/c27-23-8-2-5-20(17-23)6-3-9-25-30-18-24(28)26(31-25)22-7-1-4-21(16-22)11-10-19-12-14-29-15-13-19/h1-2,4-5,7-8,16-19,29H,3,6,9-15H2
InChIKeySZVHADCGVYOQKO-UHFFFAOYSA-N
XLogP5.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine?
The IUPAC name of 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine (CID 58199905) is 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine is Fc1cccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)c1.
What is the InChIKey of 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine?
The InChIKey is SZVHADCGVYOQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3/c27-23-8-2-5-20(17-23)6-3-9-25-30-18-24(28)26(31-25)22-7-1-4-21(16-22)11-10-19-12-14-29-15-13-19/h1-2,4-5,7-8,16-19,29H,3,6,9-15H2.
What are the key properties of 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine?
5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine has a molecular weight of 421.54 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine is sourced from PubChem (CID 58199905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).