5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine

C13H20FN3O — CID 136546055

IUPAC5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine
SMILESCOC1CCN(c2ncnc(C)c2F)CC1(C)C
InChIInChI=1S/C13H20FN3O/c1-9-11(14)12(16-8-15-9)17-6-5-10(18-4)13(2,3)7-17/h8,10H,5-7H2,1-4H3
InChIKeyOVDGISUHXMYWAR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds2

About 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine

5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine (PubChem CID 136546055) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine
PubChem CID136546055
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine
SMILESCOC1CCN(c2ncnc(C)c2F)CC1(C)C
InChIInChI=1S/C13H20FN3O/c1-9-11(14)12(16-8-15-9)17-6-5-10(18-4)13(2,3)7-17/h8,10H,5-7H2,1-4H3
InChIKeyOVDGISUHXMYWAR-UHFFFAOYSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine?
The IUPAC name of 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine (CID 136546055) is 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine?
The canonical SMILES for 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine is COC1CCN(c2ncnc(C)c2F)CC1(C)C.
What is the InChIKey of 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine?
The InChIKey is OVDGISUHXMYWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9-11(14)12(16-8-15-9)17-6-5-10(18-4)13(2,3)7-17/h8,10H,5-7H2,1-4H3.
What are the key properties of 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine?
5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine has a molecular weight of 253.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 136546055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).