4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine

C7H7ClFN3S — CID 118464449

IUPAC4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1SC1CNC1
InChIInChI=1S/C7H7ClFN3S/c8-7-11-3-5(9)6(12-7)13-4-1-10-2-4/h3-4,10H,1-2H2
InChIKeyAIRPRRGRXNOUDE-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.33
Rot. Bonds2

About 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine

4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine (PubChem CID 118464449) has the molecular formula C7H7ClFN3S and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine
PubChem CID118464449
Molecular FormulaC7H7ClFN3S
Molecular Weight219.67 g/mol
Exact Mass219.00
IUPAC Name4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1SC1CNC1
InChIInChI=1S/C7H7ClFN3S/c8-7-11-3-5(9)6(12-7)13-4-1-10-2-4/h3-4,10H,1-2H2
InChIKeyAIRPRRGRXNOUDE-UHFFFAOYSA-N
XLogP1.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine?
The IUPAC name of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine (CID 118464449) is 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine.
What is the SMILES notation for 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine?
The canonical SMILES for 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine is Fc1cnc(Cl)nc1SC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine?
The InChIKey is AIRPRRGRXNOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3S/c8-7-11-3-5(9)6(12-7)13-4-1-10-2-4/h3-4,10H,1-2H2.
What are the key properties of 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine?
4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine has a molecular weight of 219.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylsulfanyl)-2-chloro-5-fluoropyrimidine is sourced from PubChem (CID 118464449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).