2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine

C8H10ClFN4O2S — CID 126629685

IUPAC2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine
SMILESCS(=O)(=O)N1CC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C8H10ClFN4O2S/c1-17(15,16)14-3-5(4-14)12-7-6(10)2-11-8(9)13-7/h2,5H,3-4H2,1H3,(H,11,12,13)
InChIKeyAFQWAUITOTXREH-UHFFFAOYSA-N
MW280.71 g/mol
LogP0.32
Rot. Bonds3

About 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine (PubChem CID 126629685) has the molecular formula C8H10ClFN4O2S and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine
PubChem CID126629685
Molecular FormulaC8H10ClFN4O2S
Molecular Weight280.71 g/mol
Exact Mass280.02
IUPAC Name2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine
SMILESCS(=O)(=O)N1CC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C8H10ClFN4O2S/c1-17(15,16)14-3-5(4-14)12-7-6(10)2-11-8(9)13-7/h2,5H,3-4H2,1H3,(H,11,12,13)
InChIKeyAFQWAUITOTXREH-UHFFFAOYSA-N
XLogP0.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine (CID 126629685) is 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine is CS(=O)(=O)N1CC(Nc2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine?
The InChIKey is AFQWAUITOTXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN4O2S/c1-17(15,16)14-3-5(4-14)12-7-6(10)2-11-8(9)13-7/h2,5H,3-4H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine has a molecular weight of 280.71 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 126629685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).