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

C15H21N5O2S — CID 118739877

IUPAC4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine
SMILESCc1cc(-c2ccnn2C)nc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-9-13(14-6-7-16-19(14)2)18-15(17-11)12-5-4-8-20(10-12)23(3,21)22/h6-7,9,12H,4-5,8,10H2,1-3H3
InChIKeyJQQXJWPGARHDIX-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.32
Rot. Bonds3

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

4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine (PubChem CID 118739877) 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-3-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine
PubChem CID118739877
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine
SMILESCc1cc(-c2ccnn2C)nc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-9-13(14-6-7-16-19(14)2)18-15(17-11)12-5-4-8-20(10-12)23(3,21)22/h6-7,9,12H,4-5,8,10H2,1-3H3
InChIKeyJQQXJWPGARHDIX-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

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Related Compounds

4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
N-isopropyl-4-(3-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591737
US11472791, Example 16
CID 155688543
5-Methyl-4-(2-methylpyrazol-3-yl)-2-(4-phenylpiperidin-1-yl)pyrimidine
CID 29152901
5-Methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine
CID 29183669
5-methyl-4-(1-methyl-1H-pyrazol-5-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine
CID 45196000
3-[1-(1-Methylsulfonylpiperidin-4-yl)triazol-4-yl]-5,6-diphenyl-1,2,4-triazine
CID 46225321
N-{2-[5-(1-ethyl-1H-pyrazol-3-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide
CID 50952711
4-{3-isopropyl-5-[(methylsulfonyl)methyl]-1H-1,2,4-triazol-1-yl}-3-methylpyridine
CID 50974992
N,6-dimethyl-N-[3-(1H-pyrazol-1-yl)propyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 50979874
N-{2-[3-isopropyl-1-(3-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}-N-methylmethanesulfonamide
CID 50984783
2-[2-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethyl]pyridine
CID 53610414

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine (CID 118739877) is 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine is Cc1cc(-c2ccnn2C)nc(C2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
The InChIKey is JQQXJWPGARHDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-9-13(14-6-7-16-19(14)2)18-15(17-11)12-5-4-8-20(10-12)23(3,21)22/h6-7,9,12H,4-5,8,10H2,1-3H3.
What are the key properties of 4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
4-methyl-6-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-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-3-yl)pyrimidine is sourced from PubChem (CID 118739877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).