2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine

C15H22N6O2S — CID 2812710

IUPAC2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc1
InChIInChI=1S/C15H22N6O2S/c1-3-4-13-9-16-15(17-10-13)20-5-7-21(8-6-20)24(22,23)14-11-19(2)12-18-14/h9-12H,3-8H2,1-2H3
InChIKeyBZEZWSGFHPYVNY-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.67
Rot. Bonds5

About 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine

2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine (PubChem CID 2812710) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine
PubChem CID2812710
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc1
InChIInChI=1S/C15H22N6O2S/c1-3-4-13-9-16-15(17-10-13)20-5-7-21(8-6-20)24(22,23)14-11-19(2)12-18-14/h9-12H,3-8H2,1-2H3
InChIKeyBZEZWSGFHPYVNY-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine?
The IUPAC name of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine (CID 2812710) is 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine is CCCc1cnc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc1.
What is the InChIKey of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine?
The InChIKey is BZEZWSGFHPYVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-3-4-13-9-16-15(17-10-13)20-5-7-21(8-6-20)24(22,23)14-11-19(2)12-18-14/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine?
2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine has a molecular weight of 350.45 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine is sourced from PubChem (CID 2812710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).