5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine

C21H26N6O2S — CID 121477817

IUPAC5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine
SMILESO=S(=O)(c1ccc(-c2cncnc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C21H26N6O2S/c28-30(29,20-6-4-17(5-7-20)18-14-22-16-23-15-18)27-9-8-24-21(27)26-12-10-25(11-13-26)19-2-1-3-19/h4-7,14-16,19H,1-3,8-13H2
InChIKeyVRHDRGONTPYGNS-UHFFFAOYSA-N
MW426.55 g/mol
LogP1.67
Rot. Bonds4

About 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine

5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine (PubChem CID 121477817) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine
PubChem CID121477817
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine
SMILESO=S(=O)(c1ccc(-c2cncnc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C21H26N6O2S/c28-30(29,20-6-4-17(5-7-20)18-14-22-16-23-15-18)27-9-8-24-21(27)26-12-10-25(11-13-26)19-2-1-3-19/h4-7,14-16,19H,1-3,8-13H2
InChIKeyVRHDRGONTPYGNS-UHFFFAOYSA-N
XLogP1.67
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine with MolForge

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Related Compounds

1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
Arylsulfonylpiperazine, 39
CID 44237031
Arylsulfonylpiperazine, 24
CID 44237027
Arylsulfonylpiperazine, 40
CID 44237032
Arylsulfonylpiperazine, 42
CID 44237034
Arylsulfonylpiperazine, 43
CID 44237035
Arylsulfonylpiperazine, 44
CID 44237036
4-(1-Pyrimidin-5-yl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145952940
(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234892
2-(4-{[4-(Tert-butyl)phenyl]sulfonyl}piperazino)pyrimidine
CID 3316727
Phenyl-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine
CID 44354000
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 54764846

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine?
The IUPAC name of 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine (CID 121477817) is 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine?
The canonical SMILES for 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine is O=S(=O)(c1ccc(-c2cncnc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine?
The InChIKey is VRHDRGONTPYGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c28-30(29,20-6-4-17(5-7-20)18-14-22-16-23-15-18)27-9-8-24-21(27)26-12-10-25(11-13-26)19-2-1-3-19/h4-7,14-16,19H,1-3,8-13H2.
What are the key properties of 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine?
5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine has a molecular weight of 426.55 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrimidine is sourced from PubChem (CID 121477817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).