N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine

C21H25ClN6 — CID 138501676

IUPACN-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine
SMILESCc1nc(CN(C)c2cccc3cccnc23)c(Cl)c(N2CCN(C)CC2)n1
InChIInChI=1S/C21H25ClN6/c1-15-24-17(19(22)21(25-15)28-12-10-26(2)11-13-28)14-27(3)18-8-4-6-16-7-5-9-23-20(16)18/h4-9H,10-14H2,1-3H3
InChIKeyWVQYQADBSBCYDQ-UHFFFAOYSA-N
MW396.93 g/mol
LogP3.37
Rot. Bonds4

About N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine

N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine (PubChem CID 138501676) has the molecular formula C21H25ClN6 and a molecular weight of 396.93 g/mol. Its IUPAC name is N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine
PubChem CID138501676
Molecular FormulaC21H25ClN6
Molecular Weight396.93 g/mol
Exact Mass396.18
IUPAC NameN-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine
SMILESCc1nc(CN(C)c2cccc3cccnc23)c(Cl)c(N2CCN(C)CC2)n1
InChIInChI=1S/C21H25ClN6/c1-15-24-17(19(22)21(25-15)28-12-10-26(2)11-13-28)14-27(3)18-8-4-6-16-7-5-9-23-20(16)18/h4-9H,10-14H2,1-3H3
InChIKeyWVQYQADBSBCYDQ-UHFFFAOYSA-N
XLogP3.37
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine with MolForge

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Related Compounds

[4-(4-methylpiperazin-1-yl)-6-[[methyl(quinolin-8-yl)amino]methyl]pyrimidin-2-yl]methanol
CID 138501488
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
N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
CID 138501511
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butanoic acid
CID 138491839
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine
CID 138501513
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
N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 138501495
8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine?
The IUPAC name of N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine (CID 138501676) is N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine.
What is the SMILES notation for N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine?
The canonical SMILES for N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine is Cc1nc(CN(C)c2cccc3cccnc23)c(Cl)c(N2CCN(C)CC2)n1.
What is the InChIKey of N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine?
The InChIKey is WVQYQADBSBCYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6/c1-15-24-17(19(22)21(25-15)28-12-10-26(2)11-13-28)14-27(3)18-8-4-6-16-7-5-9-23-20(16)18/h4-9H,10-14H2,1-3H3.
What are the key properties of N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine?
N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine has a molecular weight of 396.93 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine is sourced from PubChem (CID 138501676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).