2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol

C21H30N6O — CID 138501716

IUPAC2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCN(Cc1cc(N2CCN(CCO)CC2)ncn1)C1CCCc2cccnc21
InChIInChI=1S/C21H30N6O/c1-25(19-6-2-4-17-5-3-7-22-21(17)19)15-18-14-20(24-16-23-18)27-10-8-26(9-11-27)12-13-28/h3,5,7,14,16,19,28H,2,4,6,8-13,15H2,1H3
InChIKeyNEGDSLMUKLCVEV-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.50
Rot. Bonds6

About 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 138501716) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID138501716
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCN(Cc1cc(N2CCN(CCO)CC2)ncn1)C1CCCc2cccnc21
InChIInChI=1S/C21H30N6O/c1-25(19-6-2-4-17-5-3-7-22-21(17)19)15-18-14-20(24-16-23-18)27-10-8-26(9-11-27)12-13-28/h3,5,7,14,16,19,28H,2,4,6,8-13,15H2,1H3
InChIKeyNEGDSLMUKLCVEV-UHFFFAOYSA-N
XLogP1.50
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol 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-[[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501628
N-[[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-methyl-N-[(6-piperazin-1-ylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol;N,N,N'-trimethyl-N'-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 158348580
(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
(8S)-N-[[5-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250795
N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250303
N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 160710266
(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11632802
N-methyl-N-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11661361
N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 135375719
N-[[3-chloro-5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276085
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
N-methyl-N-[[5-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250458

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 138501716) is 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol is CN(Cc1cc(N2CCN(CCO)CC2)ncn1)C1CCCc2cccnc21.
What is the InChIKey of 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is NEGDSLMUKLCVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-25(19-6-2-4-17-5-3-7-22-21(17)19)15-18-14-20(24-16-23-18)27-10-8-26(9-11-27)12-13-28/h3,5,7,14,16,19,28H,2,4,6,8-13,15H2,1H3.
What are the key properties of 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 382.51 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 138501716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).