2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine

C23H33N5O2S — CID 50840620

IUPAC2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
SMILESCC(C)c1ccc(S(=O)(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1
InChIInChI=1S/C23H33N5O2S/c1-17(2)18-8-10-20(11-9-18)31(29,30)21-16-25-23(26-22(21)24)28-14-12-27(13-15-28)19-6-4-3-5-7-19/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H2,24,25,26)
InChIKeyJXLYRZDOASRIOV-UHFFFAOYSA-N
MW443.62 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine

2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine (PubChem CID 50840620) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
PubChem CID50840620
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
SMILESCC(C)c1ccc(S(=O)(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1
InChIInChI=1S/C23H33N5O2S/c1-17(2)18-8-10-20(11-9-18)31(29,30)21-16-25-23(26-22(21)24)28-14-12-27(13-15-28)19-6-4-3-5-7-19/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H2,24,25,26)
InChIKeyJXLYRZDOASRIOV-UHFFFAOYSA-N
XLogP3.47
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 1487974
CID 1487975
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CID 1488911
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CID 3316727
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CID 134144394
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CID 1484763
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CID 1484764
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CID 15729907
CID 15729907

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine (CID 50840620) is 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine is CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine?
The InChIKey is JXLYRZDOASRIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2S/c1-17(2)18-8-10-20(11-9-18)31(29,30)21-16-25-23(26-22(21)24)28-14-12-27(13-15-28)19-6-4-3-5-7-19/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine?
2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine has a molecular weight of 443.62 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine is sourced from PubChem (CID 50840620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).