4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine

C11H17N3O2S — CID 95808838

IUPAC4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C11H17N3O2S/c1-9-5-6-12-11(13-9)10-4-3-7-14(8-10)17(2,15)16/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyGRVQWJNEJXJWKL-SNVBAGLBSA-N
MW255.34 g/mol
LogP0.92
Rot. Bonds2

About 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine

4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine (PubChem CID 95808838) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
PubChem CID95808838
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C11H17N3O2S/c1-9-5-6-12-11(13-9)10-4-3-7-14(8-10)17(2,15)16/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyGRVQWJNEJXJWKL-SNVBAGLBSA-N
XLogP0.92
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043
4-[6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 110112211
4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110096618
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110103731
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine
CID 124949714
N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 95837598
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565
N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 110257351

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine (CID 95808838) is 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine is Cc1ccnc([C@@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The InChIKey is GRVQWJNEJXJWKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-5-6-12-11(13-9)10-4-3-7-14(8-10)17(2,15)16/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine has a molecular weight of 255.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine is sourced from PubChem (CID 95808838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).