4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine

C11H15F2N3 — CID 59341140

IUPAC4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine
SMILESCC1CC(C)CN(c2ncnc(F)c2F)C1
InChIInChI=1S/C11H15F2N3/c1-7-3-8(2)5-16(4-7)11-9(12)10(13)14-6-15-11/h6-8H,3-5H2,1-2H3
InChIKeyAADDWXPHQWZLJM-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.24
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine

4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine (PubChem CID 59341140) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine
PubChem CID59341140
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine
SMILESCC1CC(C)CN(c2ncnc(F)c2F)C1
InChIInChI=1S/C11H15F2N3/c1-7-3-8(2)5-16(4-7)11-9(12)10(13)14-6-15-11/h6-8H,3-5H2,1-2H3
InChIKeyAADDWXPHQWZLJM-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine (CID 59341140) is 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine is CC1CC(C)CN(c2ncnc(F)c2F)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine?
The InChIKey is AADDWXPHQWZLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-7-3-8(2)5-16(4-7)11-9(12)10(13)14-6-15-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine?
4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine has a molecular weight of 227.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-5,6-difluoropyrimidine is sourced from PubChem (CID 59341140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).