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

C10H11ClFN3 — CID 10149145

IUPAC4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine
SMILESFC1CN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C10H11ClFN3/c11-8-3-9(15-4-7(12)5-15)14-10(13-8)6-1-2-6/h3,6-7H,1-2,4-5H2
InChIKeyIRBBZQFAIVCSEC-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.17
Rot. Bonds2

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

4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine (PubChem CID 10149145) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine
PubChem CID10149145
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine
SMILESFC1CN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C10H11ClFN3/c11-8-3-9(15-4-7(12)5-15)14-10(13-8)6-1-2-6/h3,6-7H,1-2,4-5H2
InChIKeyIRBBZQFAIVCSEC-UHFFFAOYSA-N
XLogP2.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.17
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)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine (CID 10149145) is 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine is FC1CN(c2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine?
The InChIKey is IRBBZQFAIVCSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c11-8-3-9(15-4-7(12)5-15)14-10(13-8)6-1-2-6/h3,6-7H,1-2,4-5H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidine has a molecular weight of 227.67 g/mol, XLogP of 2.17, 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)pyrimidine is sourced from PubChem (CID 10149145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).