4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine

C13H15N5O2S — CID 118739973

IUPAC4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C13H15N5O2S/c1-21(19,20)18-8-10(9-18)11-5-7-15-13(16-11)17-12-4-2-3-6-14-12/h2-7,10H,8-9H2,1H3,(H,14,15,16,17)
InChIKeyANKKOHJQLUPPCY-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.97
Rot. Bonds4

About 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine

4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 118739973) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID118739973
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C13H15N5O2S/c1-21(19,20)18-8-10(9-18)11-5-7-15-13(16-11)17-12-4-2-3-6-14-12/h2-7,10H,8-9H2,1H3,(H,14,15,16,17)
InChIKeyANKKOHJQLUPPCY-UHFFFAOYSA-N
XLogP0.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine (CID 118739973) is 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine is CS(=O)(=O)N1CC(c2ccnc(Nc3ccccn3)n2)C1.
What is the InChIKey of 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is ANKKOHJQLUPPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-21(19,20)18-8-10(9-18)11-5-7-15-13(16-11)17-12-4-2-3-6-14-12/h2-7,10H,8-9H2,1H3,(H,14,15,16,17).
What are the key properties of 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine?
4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 305.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylazetidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 118739973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).