4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine

C13H18FN3 — CID 172880704

IUPAC4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
SMILESFC1CCCN(c2cc(C3CCC3)ncn2)C1
InChIInChI=1S/C13H18FN3/c14-11-5-2-6-17(8-11)13-7-12(15-9-16-13)10-3-1-4-10/h7,9-11H,1-6,8H2
InChIKeyPVZYYZPJIWSXTD-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.68
Rot. Bonds2

About 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine

4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine (PubChem CID 172880704) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
PubChem CID172880704
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
SMILESFC1CCCN(c2cc(C3CCC3)ncn2)C1
InChIInChI=1S/C13H18FN3/c14-11-5-2-6-17(8-11)13-7-12(15-9-16-13)10-3-1-4-10/h7,9-11H,1-6,8H2
InChIKeyPVZYYZPJIWSXTD-UHFFFAOYSA-N
XLogP2.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
The IUPAC name of 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine (CID 172880704) is 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine is FC1CCCN(c2cc(C3CCC3)ncn2)C1.
What is the InChIKey of 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
The InChIKey is PVZYYZPJIWSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c14-11-5-2-6-17(8-11)13-7-12(15-9-16-13)10-3-1-4-10/h7,9-11H,1-6,8H2.
What are the key properties of 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine has a molecular weight of 235.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine is sourced from PubChem (CID 172880704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).