5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine

C12H18FN3O — CID 59361750

IUPAC5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCC(C)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H18FN3O/c1-9(2)16-5-3-11(4-6-16)17-12-14-7-10(13)8-15-12/h7-9,11H,3-6H2,1-2H3
InChIKeyJQQKOURCQHCESQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.87
Rot. Bonds3

About 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine

5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine (PubChem CID 59361750) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine
PubChem CID59361750
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCC(C)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H18FN3O/c1-9(2)16-5-3-11(4-6-16)17-12-14-7-10(13)8-15-12/h7-9,11H,3-6H2,1-2H3
InChIKeyJQQKOURCQHCESQ-UHFFFAOYSA-N
XLogP1.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine (CID 59361750) is 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine is CC(C)N1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine?
The InChIKey is JQQKOURCQHCESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(2)16-5-3-11(4-6-16)17-12-14-7-10(13)8-15-12/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine?
5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine has a molecular weight of 239.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 59361750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).