2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine

C11H18N4O2S — CID 47371249

IUPAC2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCC(C)S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-10(2)18(16,17)15-8-6-14(7-9-15)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3
InChIKeyKGJBNFJZJPMNHQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.34
Rot. Bonds3

About 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine

2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 47371249) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID47371249
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCC(C)S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-10(2)18(16,17)15-8-6-14(7-9-15)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3
InChIKeyKGJBNFJZJPMNHQ-UHFFFAOYSA-N
XLogP0.34
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrimidin-2-ylpiperazine-1-sulfonic acid
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2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
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1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
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1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
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1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
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4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine
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4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylaniline
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ethane;2-(4-methylpiperazin-1-yl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine (CID 47371249) is 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine is CC(C)S(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is KGJBNFJZJPMNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-10(2)18(16,17)15-8-6-14(7-9-15)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine?
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 270.36 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 47371249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).