5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine

C11H14ClF2N3 — CID 59341122

IUPAC5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine
SMILESCC1CC(C)CN(c2nc(F)nc(F)c2Cl)C1
InChIInChI=1S/C11H14ClF2N3/c1-6-3-7(2)5-17(4-6)10-8(12)9(13)15-11(14)16-10/h6-7H,3-5H2,1-2H3
InChIKeyZLGUBKXHLFSORR-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.89
Rot. Bonds1

About 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine

5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine (PubChem CID 59341122) has the molecular formula C11H14ClF2N3 and a molecular weight of 261.70 g/mol. Its IUPAC name is 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine.

Molecular Properties

Compound Name5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine
PubChem CID59341122
Molecular FormulaC11H14ClF2N3
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Name5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine
SMILESCC1CC(C)CN(c2nc(F)nc(F)c2Cl)C1
InChIInChI=1S/C11H14ClF2N3/c1-6-3-7(2)5-17(4-6)10-8(12)9(13)15-11(14)16-10/h6-7H,3-5H2,1-2H3
InChIKeyZLGUBKXHLFSORR-UHFFFAOYSA-N
XLogP2.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine?
The IUPAC name of 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine (CID 59341122) is 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine.
What is the SMILES notation for 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine?
The canonical SMILES for 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine is CC1CC(C)CN(c2nc(F)nc(F)c2Cl)C1.
What is the InChIKey of 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine?
The InChIKey is ZLGUBKXHLFSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3/c1-6-3-7(2)5-17(4-6)10-8(12)9(13)15-11(14)16-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine?
5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine has a molecular weight of 261.70 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,5-dimethylpiperidin-1-yl)-2,6-difluoropyrimidine is sourced from PubChem (CID 59341122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).