6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

C23H24N8 — CID 155513851

IUPAC6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCc1cc2c(Nc3cnccn3)ccnc2cc1-c1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H24N8/c1-16-11-19-20(29-22-15-24-5-6-26-22)3-4-25-21(19)12-18(16)17-13-27-23(28-14-17)31-9-7-30(2)8-10-31/h3-6,11-15H,7-10H2,1-2H3,(H,25,26,29)
InChIKeyKLZSXOFOEWBDDG-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.29
Rot. Bonds4

About 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155513851) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155513851
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCc1cc2c(Nc3cnccn3)ccnc2cc1-c1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H24N8/c1-16-11-19-20(29-22-15-24-5-6-26-22)3-4-25-21(19)12-18(16)17-13-27-23(28-14-17)31-9-7-30(2)8-10-31/h3-6,11-15H,7-10H2,1-2H3,(H,25,26,29)
InChIKeyKLZSXOFOEWBDDG-UHFFFAOYSA-N
XLogP3.29
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155513851) is 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is Cc1cc2c(Nc3cnccn3)ccnc2cc1-c1cnc(N2CCN(C)CC2)nc1.
What is the InChIKey of 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is KLZSXOFOEWBDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-16-11-19-20(29-22-15-24-5-6-26-22)3-4-25-21(19)12-18(16)17-13-27-23(28-14-17)31-9-7-30(2)8-10-31/h3-6,11-15H,7-10H2,1-2H3,(H,25,26,29).
What are the key properties of 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 412.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155513851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).