5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine

C12H18FN3O — CID 67100592

IUPAC5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine
SMILESCCCOc1ncnc(N2CCCCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-2-8-17-12-10(13)11(14-9-15-12)16-6-4-3-5-7-16/h9H,2-8H2,1H3
InChIKeySFFDBNWSNXYQHK-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.39
Rot. Bonds4

About 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine

5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine (PubChem CID 67100592) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine.

Molecular Properties

Compound Name5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine
PubChem CID67100592
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine
SMILESCCCOc1ncnc(N2CCCCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-2-8-17-12-10(13)11(14-9-15-12)16-6-4-3-5-7-16/h9H,2-8H2,1H3
InChIKeySFFDBNWSNXYQHK-UHFFFAOYSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine?
The IUPAC name of 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine (CID 67100592) is 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine.
What is the SMILES notation for 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine?
The canonical SMILES for 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine is CCCOc1ncnc(N2CCCCC2)c1F.
What is the InChIKey of 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine?
The InChIKey is SFFDBNWSNXYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-8-17-12-10(13)11(14-9-15-12)16-6-4-3-5-7-16/h9H,2-8H2,1H3.
What are the key properties of 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine?
5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine has a molecular weight of 239.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-piperidin-1-yl-6-propoxypyrimidine is sourced from PubChem (CID 67100592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).