4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

C16H24N6O2S — CID 56922508

IUPAC4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1
InChIInChI=1S/C16H24N6O2S/c1-4-9-25(23,24)21-7-5-20(6-8-21)15-10-16(18-11-17-15)22-12-19-13(2)14(22)3/h10-12H,4-9H2,1-3H3
InChIKeyXCUFHJFQEQYFTD-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.14
Rot. Bonds5

About 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 56922508) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID56922508
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1
InChIInChI=1S/C16H24N6O2S/c1-4-9-25(23,24)21-7-5-20(6-8-21)15-10-16(18-11-17-15)22-12-19-13(2)14(22)3/h10-12H,4-9H2,1-3H3
InChIKeyXCUFHJFQEQYFTD-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine (CID 56922508) is 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine is CCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is XCUFHJFQEQYFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-4-9-25(23,24)21-7-5-20(6-8-21)15-10-16(18-11-17-15)22-12-19-13(2)14(22)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 364.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 56922508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).