4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine

C25H28FN3O — CID 21256760

IUPAC4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine
SMILESCc1nc(OCCCN2CCC(c3ccccc3)CC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H28FN3O/c1-19-27-24(22-8-10-23(26)11-9-22)18-25(28-19)30-17-5-14-29-15-12-21(13-16-29)20-6-3-2-4-7-20/h2-4,6-11,18,21H,5,12-17H2,1H3
InChIKeyGYGUQZNDYNTSHO-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.24
Rot. Bonds7

About 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine

4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine (PubChem CID 21256760) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine
PubChem CID21256760
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine
SMILESCc1nc(OCCCN2CCC(c3ccccc3)CC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H28FN3O/c1-19-27-24(22-8-10-23(26)11-9-22)18-25(28-19)30-17-5-14-29-15-12-21(13-16-29)20-6-3-2-4-7-20/h2-4,6-11,18,21H,5,12-17H2,1H3
InChIKeyGYGUQZNDYNTSHO-UHFFFAOYSA-N
XLogP5.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine (CID 21256760) is 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine is Cc1nc(OCCCN2CCC(c3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine?
The InChIKey is GYGUQZNDYNTSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-19-27-24(22-8-10-23(26)11-9-22)18-25(28-19)30-17-5-14-29-15-12-21(13-16-29)20-6-3-2-4-7-20/h2-4,6-11,18,21H,5,12-17H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine?
4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine has a molecular weight of 405.52 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-[3-(4-phenylpiperidin-1-yl)propoxy]pyrimidine is sourced from PubChem (CID 21256760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).