N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine

C20H24N6O2S — CID 122332735

IUPACN,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1
InChIInChI=1S/C20H24N6O2S/c1-15-14-18(24(2)3)23-20(22-15)25-10-12-26(13-11-25)29(27,28)17-8-4-6-16-7-5-9-21-19(16)17/h4-9,14H,10-13H2,1-3H3
InChIKeyUTNRBXWVSUEHDD-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.91
Rot. Bonds4

About N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine

N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 122332735) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID122332735
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC NameN,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1
InChIInChI=1S/C20H24N6O2S/c1-15-14-18(24(2)3)23-20(22-15)25-10-12-26(13-11-25)29(27,28)17-8-4-6-16-7-5-9-21-19(16)17/h4-9,14H,10-13H2,1-3H3
InChIKeyUTNRBXWVSUEHDD-UHFFFAOYSA-N
XLogP1.91
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 44894672
N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
CID 126890465
N,N,6-trimethyl-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 121032150
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline
CID 3758703
3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 47068629
8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline
CID 11596960
8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline
CID 122345055
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133382412
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133382557

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine (CID 122332735) is N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1.
What is the InChIKey of N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is UTNRBXWVSUEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-15-14-18(24(2)3)23-20(22-15)25-10-12-26(13-11-25)29(27,28)17-8-4-6-16-7-5-9-21-19(16)17/h4-9,14H,10-13H2,1-3H3.
What are the key properties of N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 412.52 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 122332735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).