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

C12H17ClFN3 — CID 165486454

IUPAC4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine
SMILESCc1nc(Cl)c(F)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C12H17ClFN3/c1-7-4-8(2)6-17(5-7)12-10(14)11(13)15-9(3)16-12/h7-8H,4-6H2,1-3H3
InChIKeyRFOJQWQLYSXENV-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.06
Rot. Bonds1

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

4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine (PubChem CID 165486454) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine
PubChem CID165486454
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine
SMILESCc1nc(Cl)c(F)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C12H17ClFN3/c1-7-4-8(2)6-17(5-7)12-10(14)11(13)15-9(3)16-12/h7-8H,4-6H2,1-3H3
InChIKeyRFOJQWQLYSXENV-UHFFFAOYSA-N
XLogP3.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine (CID 165486454) is 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine is Cc1nc(Cl)c(F)c(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine?
The InChIKey is RFOJQWQLYSXENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c1-7-4-8(2)6-17(5-7)12-10(14)11(13)15-9(3)16-12/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine?
4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine has a molecular weight of 257.74 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-methylpyrimidine is sourced from PubChem (CID 165486454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).