4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one

C13H19N5O3S — CID 110271810

IUPAC4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCc1nc(C2CCN2S(C)(=O)=O)cc(N2CCNC(=O)C2)n1
InChIInChI=1S/C13H19N5O3S/c1-9-15-10(11-3-5-18(11)22(2,20)21)7-12(16-9)17-6-4-14-13(19)8-17/h7,11H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyFEVTXBJPONXELC-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.57
Rot. Bonds3

About 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one

4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 110271810) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one
PubChem CID110271810
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCc1nc(C2CCN2S(C)(=O)=O)cc(N2CCNC(=O)C2)n1
InChIInChI=1S/C13H19N5O3S/c1-9-15-10(11-3-5-18(11)22(2,20)21)7-12(16-9)17-6-4-14-13(19)8-17/h7,11H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyFEVTXBJPONXELC-UHFFFAOYSA-N
XLogP-0.57
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one (CID 110271810) is 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one is Cc1nc(C2CCN2S(C)(=O)=O)cc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is FEVTXBJPONXELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-9-15-10(11-3-5-18(11)22(2,20)21)7-12(16-9)17-6-4-14-13(19)8-17/h7,11H,3-6,8H2,1-2H3,(H,14,19).
What are the key properties of 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one?
4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 325.39 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 110271810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).