N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine

C21H26N6 — CID 138501495

IUPACN-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine
SMILESCCN(Cc1cc(N2CCNCC2)nc(C)n1)c1cccc2cccnc12
InChIInChI=1S/C21H26N6/c1-3-26(19-8-4-6-17-7-5-9-23-21(17)19)15-18-14-20(25-16(2)24-18)27-12-10-22-11-13-27/h4-9,14,22H,3,10-13,15H2,1-2H3
InChIKeyVRLKWHBWVZDVKM-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.77
Rot. Bonds5

About N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine

N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine (PubChem CID 138501495) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine
PubChem CID138501495
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine
SMILESCCN(Cc1cc(N2CCNCC2)nc(C)n1)c1cccc2cccnc12
InChIInChI=1S/C21H26N6/c1-3-26(19-8-4-6-17-7-5-9-23-21(17)19)15-18-14-20(25-16(2)24-18)27-12-10-22-11-13-27/h4-9,14,22H,3,10-13,15H2,1-2H3
InChIKeyVRLKWHBWVZDVKM-UHFFFAOYSA-N
XLogP2.77
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine with MolForge

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Related Compounds

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]-1,6-naphthyridin-8-amine
CID 138491882
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
N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
CID 138501511
8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
CID 154608467
[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]-7-methylsulfonylquinolin-8-amine
CID 138501513
(8S)-N-methyl-N-[[2-methyl-6-(4-piperazin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501518
N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
CID 114900586
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
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-[[5-chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methylquinolin-8-amine
CID 138501676

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine?
The IUPAC name of N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine (CID 138501495) is N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine is CCN(Cc1cc(N2CCNCC2)nc(C)n1)c1cccc2cccnc12.
What is the InChIKey of N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine?
The InChIKey is VRLKWHBWVZDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-3-26(19-8-4-6-17-7-5-9-23-21(17)19)15-18-14-20(25-16(2)24-18)27-12-10-22-11-13-27/h4-9,14,22H,3,10-13,15H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine?
N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine has a molecular weight of 362.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 138501495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).