2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine

C11H14Cl2FN3 — CID 176675162

IUPAC2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1(C)CCCN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C11H14Cl2FN3/c1-11(2)4-3-5-17(6-11)9-7(14)8(12)15-10(13)16-9/h3-6H2,1-2H3
InChIKeyZQMOWRXWSLHWCC-UHFFFAOYSA-N
MW278.16 g/mol
LogP3.55
Rot. Bonds1

About 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine

2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine (PubChem CID 176675162) has the molecular formula C11H14Cl2FN3 and a molecular weight of 278.16 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine
PubChem CID176675162
Molecular FormulaC11H14Cl2FN3
Molecular Weight278.16 g/mol
Exact Mass277.05
IUPAC Name2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1(C)CCCN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C11H14Cl2FN3/c1-11(2)4-3-5-17(6-11)9-7(14)8(12)15-10(13)16-9/h3-6H2,1-2H3
InChIKeyZQMOWRXWSLHWCC-UHFFFAOYSA-N
XLogP3.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine (CID 176675162) is 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine is CC1(C)CCCN(c2nc(Cl)nc(Cl)c2F)C1.
What is the InChIKey of 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The InChIKey is ZQMOWRXWSLHWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FN3/c1-11(2)4-3-5-17(6-11)9-7(14)8(12)15-10(13)16-9/h3-6H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine has a molecular weight of 278.16 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 176675162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).