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

C15H21N5O2S — CID 118739862

IUPAC4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine
SMILESCc1cc(-c2ccnn2C)nc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-10-13(14-4-7-16-19(14)2)18-15(17-11)12-5-8-20(9-6-12)23(3,21)22/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyWSVXDUPLUDPIDB-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.32
Rot. Bonds3

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

4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine (PubChem CID 118739862) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine
PubChem CID118739862
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine
SMILESCc1cc(-c2ccnn2C)nc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-10-13(14-4-7-16-19(14)2)18-15(17-11)12-5-8-20(9-6-12)23(3,21)22/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyWSVXDUPLUDPIDB-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine (CID 118739862) is 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine is Cc1cc(-c2ccnn2C)nc(C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
The InChIKey is WSVXDUPLUDPIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-10-13(14-4-7-16-19(14)2)18-15(17-11)12-5-8-20(9-6-12)23(3,21)22/h4,7,10,12H,5-6,8-9H2,1-3H3.
What are the key properties of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)pyrimidine is sourced from PubChem (CID 118739862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).