N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine

C22H28N6O2S — CID 138501513

IUPACN-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine
SMILESCc1nc(CN(C)c2c(S(C)(=O)=O)ccc3cccnc23)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H28N6O2S/c1-16-24-18(14-20(25-16)28-12-10-26(2)11-13-28)15-27(3)22-19(31(4,29)30)8-7-17-6-5-9-23-21(17)22/h5-9,14H,10-13,15H2,1-4H3
InChIKeyOVMJSMNCNDKOCV-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.12
Rot. Bonds5

About N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine

N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine (PubChem CID 138501513) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine
PubChem CID138501513
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC NameN-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine
SMILESCc1nc(CN(C)c2c(S(C)(=O)=O)ccc3cccnc23)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H28N6O2S/c1-16-24-18(14-20(25-16)28-12-10-26(2)11-13-28)15-27(3)22-19(31(4,29)30)8-7-17-6-5-9-23-21(17)22/h5-9,14H,10-13,15H2,1-4H3
InChIKeyOVMJSMNCNDKOCV-UHFFFAOYSA-N
XLogP2.12
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
CID 138501511
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,6-naphthyridin-8-amine
CID 138491882
8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
CID 154608467
lithium;alumane;hydride;methyl 8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylate;8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
CID 160704710
4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butanoic acid
CID 138491839
[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol
CID 138501488
4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 1476659
N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine
CID 138501676
N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 138501495
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
CID 138501798
(5Z)-5-ethylidene-2-fluoro-N-methyl-6-methylimino-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]cyclohexen-1-amine
CID 138501516
tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine
CID 162215665

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine?
The IUPAC name of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine (CID 138501513) is N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine is Cc1nc(CN(C)c2c(S(C)(=O)=O)ccc3cccnc23)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine?
The InChIKey is OVMJSMNCNDKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-16-24-18(14-20(25-16)28-12-10-26(2)11-13-28)15-27(3)22-19(31(4,29)30)8-7-17-6-5-9-23-21(17)22/h5-9,14H,10-13,15H2,1-4H3.
What are the key properties of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine?
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine has a molecular weight of 440.57 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine is sourced from PubChem (CID 138501513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).