5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

C19H24FN3O — CID 118723344

IUPAC5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1F
InChIInChI=1S/C19H24FN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyRCJGYOVWKLEXQD-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.85
Rot. Bonds6

About 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (PubChem CID 118723344) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
PubChem CID118723344
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1F
InChIInChI=1S/C19H24FN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyRCJGYOVWKLEXQD-UHFFFAOYSA-N
XLogP3.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.85
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 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (CID 118723344) is 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is Cc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1F.
What is the InChIKey of 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The InChIKey is RCJGYOVWKLEXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine has a molecular weight of 329.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).