2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine

C15H21N5O2S — CID 110099539

IUPAC2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-16-15(17-10)13-8-12(18-11(2)19-13)14-6-4-5-7-20(14)23(3,21)22/h8-9,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyGREFTLMKNXCYJA-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine

2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine (PubChem CID 110099539) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
PubChem CID110099539
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-16-15(17-10)13-8-12(18-11(2)19-13)14-6-4-5-7-20(14)23(3,21)22/h8-9,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyGREFTLMKNXCYJA-UHFFFAOYSA-N
XLogP1.97
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-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

Related Compounds

4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100445
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
CID 125012503
[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110110927
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820160
2-(4-fluorophenyl)-1-[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110110349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine (CID 110099539) is 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine is Cc1nc(-c2ncc(C)[nH]2)cc(C2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The InChIKey is GREFTLMKNXCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-9-16-15(17-10)13-8-12(18-11(2)19-13)14-6-4-5-7-20(14)23(3,21)22/h8-9,14H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine is sourced from PubChem (CID 110099539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).