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

C15H21N5O2S — CID 110101190

IUPAC2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
SMILESCc1nc(-c2ccnn2C)cc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-11-17-12(14-7-8-16-19(14)2)10-13(18-11)15-6-4-5-9-20(15)23(3,21)22/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyIZCVAKNXMYLUFX-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.67
Rot. Bonds3

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

2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine (PubChem CID 110101190) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
PubChem CID110101190
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
SMILESCc1nc(-c2ccnn2C)cc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-11-17-12(14-7-8-16-19(14)2)10-13(18-11)15-6-4-5-9-20(15)23(3,21)22/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyIZCVAKNXMYLUFX-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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Related Compounds

2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 110101200
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-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110099539
2-methyl-4-[(2R)-1-methylpiperidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124994880
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 124987790
1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124944395
4-methyl-2-[(2S)-1-methylpiperidin-2-yl]-6-(2-methylpyrazol-3-yl)pyrimidine
CID 124973079
2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 125012000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine (CID 110101190) is 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine is Cc1nc(-c2ccnn2C)cc(C2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
The InChIKey is IZCVAKNXMYLUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-17-12(14-7-8-16-19(14)2)10-13(18-11)15-6-4-5-9-20(15)23(3,21)22/h7-8,10,15H,4-6,9H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine?
2-methyl-4-(2-methylpyrazol-3-yl)-6-(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 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine is sourced from PubChem (CID 110101190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).