N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C22H32N6 — CID 138501445

IUPACN-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H32N6/c1-4-20-24-18(15-21(25-20)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-22(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3
InChIKeyXWBKNEJOYSLPTE-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.70
Rot. Bonds5

About N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 138501445) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID138501445
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC NameN-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H32N6/c1-4-20-24-18(15-21(25-20)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-22(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3
InChIKeyXWBKNEJOYSLPTE-UHFFFAOYSA-N
XLogP2.70
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-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-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 138501445) is N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is XWBKNEJOYSLPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-4-20-24-18(15-21(25-20)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-22(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3.
What are the key properties of N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 380.54 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 138501445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).