4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine

C17H30N6O2S — CID 27637479

IUPAC4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1
InChIInChI=1S/C17H30N6O2S/c1-4-13-26(24,25)23-11-9-22(10-12-23)17-18-15(2)14-16(19-17)21-7-5-20(3)6-8-21/h14H,4-13H2,1-3H3
InChIKeyUKYAINBOUHJXRS-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.40
Rot. Bonds5

About 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine

4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 27637479) has the molecular formula C17H30N6O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID27637479
Molecular FormulaC17H30N6O2S
Molecular Weight382.53 g/mol
Exact Mass382.22
IUPAC Name4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1
InChIInChI=1S/C17H30N6O2S/c1-4-13-26(24,25)23-11-9-22(10-12-23)17-18-15(2)14-16(19-17)21-7-5-20(3)6-8-21/h14H,4-13H2,1-3H3
InChIKeyUKYAINBOUHJXRS-UHFFFAOYSA-N
XLogP0.40
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine (CID 27637479) is 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine is CCCS(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1.
What is the InChIKey of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is UKYAINBOUHJXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2S/c1-4-13-26(24,25)23-11-9-22(10-12-23)17-18-15(2)14-16(19-17)21-7-5-20(3)6-8-21/h14H,4-13H2,1-3H3.
What are the key properties of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 382.53 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 27637479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).