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

C12H18FN3O — CID 71643605

IUPAC5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine
SMILESFc1cnc(OCCCC2CCCNC2)nc1
InChIInChI=1S/C12H18FN3O/c13-11-8-15-12(16-9-11)17-6-2-4-10-3-1-5-14-7-10/h8-10,14H,1-7H2
InChIKeyRTMRJUPBUDRCLT-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.77
Rot. Bonds5

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

5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine (PubChem CID 71643605) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine
PubChem CID71643605
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine
SMILESFc1cnc(OCCCC2CCCNC2)nc1
InChIInChI=1S/C12H18FN3O/c13-11-8-15-12(16-9-11)17-6-2-4-10-3-1-5-14-7-10/h8-10,14H,1-7H2
InChIKeyRTMRJUPBUDRCLT-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
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-2-(3-piperidin-3-ylpropoxy)pyrimidine?
The IUPAC name of 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine (CID 71643605) is 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine?
The canonical SMILES for 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine is Fc1cnc(OCCCC2CCCNC2)nc1.
What is the InChIKey of 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine?
The InChIKey is RTMRJUPBUDRCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c13-11-8-15-12(16-9-11)17-6-2-4-10-3-1-5-14-7-10/h8-10,14H,1-7H2.
What are the key properties of 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine?
5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine has a molecular weight of 239.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine is sourced from PubChem (CID 71643605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).