6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine

C16H25N7O2S — CID 122340437

IUPAC6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1
InChIInChI=1S/C16H25N7O2S/c1-12-17-14(20(3)4)10-15(18-12)22-6-8-23(9-7-22)26(24,25)16-11-21(5)13(2)19-16/h10-11H,6-9H2,1-5H3
InChIKeyHTYYDAAISRGZPR-UHFFFAOYSA-N
MW379.49 g/mol
LogP0.40
Rot. Bonds4

About 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine

6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine (PubChem CID 122340437) has the molecular formula C16H25N7O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
PubChem CID122340437
Molecular FormulaC16H25N7O2S
Molecular Weight379.49 g/mol
Exact Mass379.18
IUPAC Name6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1
InChIInChI=1S/C16H25N7O2S/c1-12-17-14(20(3)4)10-15(18-12)22-6-8-23(9-7-22)26(24,25)16-11-21(5)13(2)19-16/h10-11H,6-9H2,1-5H3
InChIKeyHTYYDAAISRGZPR-UHFFFAOYSA-N
XLogP0.40
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4,5-dimethylimidazol-1-yl)-6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345271
N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122340459
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339904
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 50748470
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351238
3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122340410
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122054419
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338905
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338404

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine (CID 122340437) is 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine is Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1.
What is the InChIKey of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine?
The InChIKey is HTYYDAAISRGZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2S/c1-12-17-14(20(3)4)10-15(18-12)22-6-8-23(9-7-22)26(24,25)16-11-21(5)13(2)19-16/h10-11H,6-9H2,1-5H3.
What are the key properties of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine?
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine has a molecular weight of 379.49 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine is sourced from PubChem (CID 122340437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).