5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine

C10H12FN3 — CID 126779573

IUPAC5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine
SMILESC=C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3/c1-8-2-4-14(5-3-8)10-12-6-9(11)7-13-10/h6-7H,1-5H2
InChIKeyGTRBQEOEHJLRIZ-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.77
Rot. Bonds1

About 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine

5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine (PubChem CID 126779573) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine
PubChem CID126779573
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine
SMILESC=C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3/c1-8-2-4-14(5-3-8)10-12-6-9(11)7-13-10/h6-7H,1-5H2
InChIKeyGTRBQEOEHJLRIZ-UHFFFAOYSA-N
XLogP1.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine (CID 126779573) is 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine is C=C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine?
The InChIKey is GTRBQEOEHJLRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-8-2-4-14(5-3-8)10-12-6-9(11)7-13-10/h6-7H,1-5H2.
What are the key properties of 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine?
5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine has a molecular weight of 193.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine is sourced from PubChem (CID 126779573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).