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

C17H25N5O2S — CID 118740175

IUPAC2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine
SMILESCCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)nc(C)n1
InChIInChI=1S/C17H25N5O2S/c1-4-9-22-17(5-8-18-22)16-12-15(19-13(2)20-16)14-6-10-21(11-7-14)25(3,23)24/h5,8,12,14H,4,6-7,9-11H2,1-3H3
InChIKeyZQVCDDRTFOHOLE-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.20
Rot. Bonds5

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

2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine (PubChem CID 118740175) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine
PubChem CID118740175
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine
SMILESCCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)nc(C)n1
InChIInChI=1S/C17H25N5O2S/c1-4-9-22-17(5-8-18-22)16-12-15(19-13(2)20-16)14-6-10-21(11-7-14)25(3,23)24/h5,8,12,14H,4,6-7,9-11H2,1-3H3
InChIKeyZQVCDDRTFOHOLE-UHFFFAOYSA-N
XLogP2.20
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine (CID 118740175) is 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine is CCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine?
The InChIKey is ZQVCDDRTFOHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-4-9-22-17(5-8-18-22)16-12-15(19-13(2)20-16)14-6-10-21(11-7-14)25(3,23)24/h5,8,12,14H,4,6-7,9-11H2,1-3H3.
What are the key properties of 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine?
2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine has a molecular weight of 363.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 118740175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).