4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine

C11H13ClFN3 — CID 10285959

IUPAC4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CC(F)C1
InChIInChI=1S/C11H13ClFN3/c1-6-9(12)14-10(7-2-3-7)15-11(6)16-4-8(13)5-16/h7-8H,2-5H2,1H3
InChIKeyQZUGLRDTUYRKSS-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine (PubChem CID 10285959) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
PubChem CID10285959
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC Name4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CC(F)C1
InChIInChI=1S/C11H13ClFN3/c1-6-9(12)14-10(7-2-3-7)15-11(6)16-4-8(13)5-16/h7-8H,2-5H2,1H3
InChIKeyQZUGLRDTUYRKSS-UHFFFAOYSA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine (CID 10285959) is 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CC(F)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
The InChIKey is QZUGLRDTUYRKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3/c1-6-9(12)14-10(7-2-3-7)15-11(6)16-4-8(13)5-16/h7-8H,2-5H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine has a molecular weight of 241.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 10285959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).