4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

C17H26N6O2S — CID 50947580

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1
InChIInChI=1S/C17H26N6O2S/c1-5-10-26(24,25)22-8-6-21(7-9-22)16-12-17(19-15(4)18-16)23-14(3)11-13(2)20-23/h11-12H,5-10H2,1-4H3
InChIKeyWLZUBTLFBNSXJJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.45
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 50947580) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID50947580
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1
InChIInChI=1S/C17H26N6O2S/c1-5-10-26(24,25)22-8-6-21(7-9-22)16-12-17(19-15(4)18-16)23-14(3)11-13(2)20-23/h11-12H,5-10H2,1-4H3
InChIKeyWLZUBTLFBNSXJJ-UHFFFAOYSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine (CID 50947580) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine is CCCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is WLZUBTLFBNSXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-5-10-26(24,25)22-8-6-21(7-9-22)16-12-17(19-15(4)18-16)23-14(3)11-13(2)20-23/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 378.50 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 50947580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).