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

C15H21N5O2S — CID 118739867

IUPAC2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine
SMILESCc1nc(-c2ccnn2C)cc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-17-13(9-14(18-11)15-6-7-16-19(15)2)12-5-4-8-20(10-12)23(3,21)22/h6-7,9,12H,4-5,8,10H2,1-3H3
InChIKeyKCIUKUUTMCWCEV-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.32
Rot. Bonds3

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

2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine (PubChem CID 118739867) 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-3-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine
PubChem CID118739867
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine
SMILESCc1nc(-c2ccnn2C)cc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-17-13(9-14(18-11)15-6-7-16-19(15)2)12-5-4-8-20(10-12)23(3,21)22/h6-7,9,12H,4-5,8,10H2,1-3H3
InChIKeyKCIUKUUTMCWCEV-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

2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazol-4-yl]pyrimidine
CID 118072831
N-isopropyl-4-(3-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591737
4-(4-Benzyl-3,5-dimethyl-pyrazol-1-yl)-6-pyridin-2-yl-[1,3,5]triazin-2-ylamine
CID 22174870
4-[[4-(4-benzyl-1H-pyrazol-5-yl)-1-piperidyl]methyl]-2-isopropyl-pyrimidine
CID 56758901
N-[2-[4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethyl]ethenesulfonamide
CID 167188055
2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine
CID 121357890
US10029993, Example 236
CID 126567203
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
4-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N,5,6-tetramethyl-2-pyrimidinamine
CID 30876879
5-methyl-4-(1-methyl-1H-pyrazol-5-yl)-2-(3-phenylpiperidin-1-yl)pyrimidine
CID 45196000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine (CID 118739867) is 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine is Cc1nc(-c2ccnn2C)cc(C2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
The InChIKey is KCIUKUUTMCWCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-17-13(9-14(18-11)15-6-7-16-19(15)2)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 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine?
2-methyl-4-(2-methylpyrazol-3-yl)-6-(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 2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-3-yl)pyrimidine is sourced from PubChem (CID 118739867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).