4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine

C15H21N5O2S — CID 110131743

IUPAC4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine
SMILESCc1cc(-c2cncn2C)nc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-11-8-12(14-9-16-10-19(14)2)18-15(17-11)13-6-4-5-7-20(13)23(3,21)22/h8-10,13H,4-7H2,1-3H3
InChIKeyJTFGPLICVANBHE-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.67
Rot. Bonds3

About 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine

4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine (PubChem CID 110131743) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine
PubChem CID110131743
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine
SMILESCc1cc(-c2cncn2C)nc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-11-8-12(14-9-16-10-19(14)2)18-15(17-11)13-6-4-5-7-20(13)23(3,21)22/h8-10,13H,4-7H2,1-3H3
InChIKeyJTFGPLICVANBHE-UHFFFAOYSA-N
XLogP1.67
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine (CID 110131743) is 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine is Cc1cc(-c2cncn2C)nc(C2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The InChIKey is JTFGPLICVANBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-8-12(14-9-16-10-19(14)2)18-15(17-11)13-6-4-5-7-20(13)23(3,21)22/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine is sourced from PubChem (CID 110131743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).