2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine

C12H20N4O2S — CID 2812707

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine
SMILESCCCc1cnc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C12H20N4O2S/c1-3-4-11-9-13-12(14-10-11)15-5-7-16(8-6-15)19(2,17)18/h9-10H,3-8H2,1-2H3
InChIKeyDXEFHGFGSZBPAG-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine

2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine (PubChem CID 2812707) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine
PubChem CID2812707
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine
SMILESCCCc1cnc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C12H20N4O2S/c1-3-4-11-9-13-12(14-10-11)15-5-7-16(8-6-15)19(2,17)18/h9-10H,3-8H2,1-2H3
InChIKeyDXEFHGFGSZBPAG-UHFFFAOYSA-N
XLogP0.51
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine (CID 2812707) is 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine is CCCc1cnc(N2CCN(S(C)(=O)=O)CC2)nc1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine?
The InChIKey is DXEFHGFGSZBPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-4-11-9-13-12(14-10-11)15-5-7-16(8-6-15)19(2,17)18/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine?
2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine has a molecular weight of 284.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidine is sourced from PubChem (CID 2812707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).