2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

C20H26N8O2S — CID 122350088

IUPAC2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)n1
InChIInChI=1S/C20H26N8O2S/c1-15(2)27-13-20(22-14-27)31(29,30)28-10-8-26(9-11-28)19-12-18(23-16(3)24-19)25-17-6-4-5-7-21-17/h4-7,12-15H,8-11H2,1-3H3,(H,21,23,24,25)
InChIKeyNSTMOQGTUMLOAI-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.21
Rot. Bonds6

About 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122350088) has the molecular formula C20H26N8O2S and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID122350088
Molecular FormulaC20H26N8O2S
Molecular Weight442.55 g/mol
Exact Mass442.19
IUPAC Name2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)n1
InChIInChI=1S/C20H26N8O2S/c1-15(2)27-13-20(22-14-27)31(29,30)28-10-8-26(9-11-28)19-12-18(23-16(3)24-19)25-17-6-4-5-7-21-17/h4-7,12-15H,8-11H2,1-3H3,(H,21,23,24,25)
InChIKeyNSTMOQGTUMLOAI-UHFFFAOYSA-N
XLogP2.21
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342554
2-methyl-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350047
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350054
6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350055
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122349853
6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350061
1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122350100
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349263
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122337639
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 122350088) is 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is NSTMOQGTUMLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2S/c1-15(2)27-13-20(22-14-27)31(29,30)28-10-8-26(9-11-28)19-12-18(23-16(3)24-19)25-17-6-4-5-7-21-17/h4-7,12-15H,8-11H2,1-3H3,(H,21,23,24,25).
What are the key properties of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 442.55 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122350088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).