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

C20H28N6 — CID 138491830

IUPACN-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)n2)CC1
InChIInChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)19-8-10-21-18(23-19)15-25(2)17-7-3-5-16-6-4-9-22-20(16)17/h4,6,8-10,17H,3,5,7,11-15H2,1-2H3
InChIKeyBLXXOLFCZSFQJY-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.13
Rot. Bonds4

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

N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 138491830) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID138491830
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)n2)CC1
InChIInChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)19-8-10-21-18(23-19)15-25(2)17-7-3-5-16-6-4-9-22-20(16)17/h4,6,8-10,17H,3,5,7,11-15H2,1-2H3
InChIKeyBLXXOLFCZSFQJY-UHFFFAOYSA-N
XLogP2.13
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Fanotaprim
CID 134812633
Amprolium ion
CID 2178
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
[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
4-Anilino quinazoline deriv. 18
CID 5328017
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 138491830) is N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2ccnc(CN(C)C3CCCc4cccnc43)n2)CC1.
What is the InChIKey of N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is BLXXOLFCZSFQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)19-8-10-21-18(23-19)15-25(2)17-7-3-5-16-6-4-9-22-20(16)17/h4,6,8-10,17H,3,5,7,11-15H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 352.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 138491830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).