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

C24H26N8 — CID 155531572

IUPAC6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCc1cc2c(Nc3cnccn3)ccnc2cc1-c1cnc(N2CCCN(C)CC2)nc1
InChIInChI=1S/C24H26N8/c1-17-12-20-21(30-23-16-25-6-7-27-23)4-5-26-22(20)13-19(17)18-14-28-24(29-15-18)32-9-3-8-31(2)10-11-32/h4-7,12-16H,3,8-11H2,1-2H3,(H,26,27,30)
InChIKeyVGLDVENGJLNFQJ-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.68
Rot. Bonds4

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

6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155531572) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155531572
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCc1cc2c(Nc3cnccn3)ccnc2cc1-c1cnc(N2CCCN(C)CC2)nc1
InChIInChI=1S/C24H26N8/c1-17-12-20-21(30-23-16-25-6-7-27-23)4-5-26-22(20)13-19(17)18-14-28-24(29-15-18)32-9-3-8-31(2)10-11-32/h4-7,12-16H,3,8-11H2,1-2H3,(H,26,27,30)
InChIKeyVGLDVENGJLNFQJ-UHFFFAOYSA-N
XLogP3.68
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155531572) is 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is Cc1cc2c(Nc3cnccn3)ccnc2cc1-c1cnc(N2CCCN(C)CC2)nc1.
What is the InChIKey of 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is VGLDVENGJLNFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-17-12-20-21(30-23-16-25-6-7-27-23)4-5-26-22(20)13-19(17)18-14-28-24(29-15-18)32-9-3-8-31(2)10-11-32/h4-7,12-16H,3,8-11H2,1-2H3,(H,26,27,30).
What are the key properties of 6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
6-methyl-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 426.53 g/mol, XLogP of 3.68, 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-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155531572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).