4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine

C15H21N5O2S — CID 124944043

IUPAC4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
SMILESCc1cc(-c2cc(C)[nH]n2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-7-13(14-8-11(2)18-19-14)17-15(16-10)12-5-4-6-20(9-12)23(3,21)22/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyBGZIRMDEGPLWCW-GFCCVEGCSA-N
MW335.43 g/mol
LogP1.62
Rot. Bonds3

About 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine

4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine (PubChem CID 124944043) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
PubChem CID124944043
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
SMILESCc1cc(-c2cc(C)[nH]n2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-7-13(14-8-11(2)18-19-14)17-15(16-10)12-5-4-6-20(9-12)23(3,21)22/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyBGZIRMDEGPLWCW-GFCCVEGCSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 110112211
1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101094
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 110257351
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
CID 95107377
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 175662645
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 175652292
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine (CID 124944043) is 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine is Cc1cc(-c2cc(C)[nH]n2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The InChIKey is BGZIRMDEGPLWCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-7-13(14-8-11(2)18-19-14)17-15(16-10)12-5-4-6-20(9-12)23(3,21)22/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine is sourced from PubChem (CID 124944043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).