4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine

C12H15N5O2S — CID 95842736

IUPAC4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine
SMILESCc1cc(-n2ccnc2)nc(C2CN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C12H15N5O2S/c1-9-5-11(16-4-3-13-8-16)15-12(14-9)10-6-17(7-10)20(2,18)19/h3-5,8,10H,6-7H2,1-2H3
InChIKeyAAXWNHAALUCNAP-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.33
Rot. Bonds3

About 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine

4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine (PubChem CID 95842736) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine
PubChem CID95842736
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine
SMILESCc1cc(-n2ccnc2)nc(C2CN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C12H15N5O2S/c1-9-5-11(16-4-3-13-8-16)15-12(14-9)10-6-17(7-10)20(2,18)19/h3-5,8,10H,6-7H2,1-2H3
InChIKeyAAXWNHAALUCNAP-UHFFFAOYSA-N
XLogP0.33
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine (CID 95842736) is 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine is Cc1cc(-n2ccnc2)nc(C2CN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine?
The InChIKey is AAXWNHAALUCNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-9-5-11(16-4-3-13-8-16)15-12(14-9)10-6-17(7-10)20(2,18)19/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine?
4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine has a molecular weight of 293.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine is sourced from PubChem (CID 95842736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).