6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

C19H24N8O2S — CID 122349263

IUPAC6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)nc1C
InChIInChI=1S/C19H24N8O2S/c1-3-25-13-19(23-15(25)2)30(28,29)27-10-8-26(9-11-27)18-12-17(21-14-22-18)24-16-6-4-5-7-20-16/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,21,22,24)
InChIKeyDZVVBRUNKPLUGX-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.65
Rot. Bonds6

About 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122349263) has the molecular formula C19H24N8O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID122349263
Molecular FormulaC19H24N8O2S
Molecular Weight428.52 g/mol
Exact Mass428.17
IUPAC Name6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)nc1C
InChIInChI=1S/C19H24N8O2S/c1-3-25-13-19(23-15(25)2)30(28,29)27-10-8-26(9-11-27)18-12-17(21-14-22-18)24-16-6-4-5-7-20-16/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,21,22,24)
InChIKeyDZVVBRUNKPLUGX-UHFFFAOYSA-N
XLogP1.65
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349017
6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349013
6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349016
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349411
2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350088
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349438
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349223
2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122348904
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349232
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350054

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 122349263) is 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is CCn1cc(S(=O)(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)nc1C.
What is the InChIKey of 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is DZVVBRUNKPLUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2S/c1-3-25-13-19(23-15(25)2)30(28,29)27-10-8-26(9-11-27)18-12-17(21-14-22-18)24-16-6-4-5-7-20-16/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,21,22,24).
What are the key properties of 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 428.52 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122349263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).