5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine

C10H14FN3O — CID 71643593

IUPAC5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine
SMILESFc1cnc(OCC2CCCNC2)nc1
InChIInChI=1S/C10H14FN3O/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyXIFDSWVMLLQYMQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.99
Rot. Bonds3

About 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine

5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine (PubChem CID 71643593) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine
PubChem CID71643593
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine
SMILESFc1cnc(OCC2CCCNC2)nc1
InChIInChI=1S/C10H14FN3O/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyXIFDSWVMLLQYMQ-UHFFFAOYSA-N
XLogP0.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine?
The IUPAC name of 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine (CID 71643593) is 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine is Fc1cnc(OCC2CCCNC2)nc1.
What is the InChIKey of 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine?
The InChIKey is XIFDSWVMLLQYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2.
What are the key properties of 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine?
5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine has a molecular weight of 211.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(piperidin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 71643593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).