5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine

C26H24N6O — CID 171089657

IUPAC5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2ccc3ncccc3c2)ncn1
InChIInChI=1S/C26H24N6O/c1-16-10-21-20(7-9-29-26(21)27)17(2)22(16)13-30-24-12-25(32-15-31-24)33-14-18-5-6-23-19(11-18)4-3-8-28-23/h3-12,15H,13-14H2,1-2H3,(H2,27,29)(H,30,31,32)
InChIKeyCDBDJEILYNYQPC-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.96
Rot. Bonds6

About 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine

5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 171089657) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID171089657
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2ccc3ncccc3c2)ncn1
InChIInChI=1S/C26H24N6O/c1-16-10-21-20(7-9-29-26(21)27)17(2)22(16)13-30-24-12-25(32-15-31-24)33-14-18-5-6-23-19(11-18)4-3-8-28-23/h3-12,15H,13-14H2,1-2H3,(H2,27,29)(H,30,31,32)
InChIKeyCDBDJEILYNYQPC-UHFFFAOYSA-N
XLogP4.96
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine with MolForge

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Related Compounds

5,7-dimethyl-6-[[[6-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
CID 171090396
4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-3-ylmethyl)pyrimidine-4,6-diamine
CID 171090226
6-[[[6-[(5-cyclopropyl-1-benzothiophen-2-yl)methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
CID 171090050
1-[[4-[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]phenyl]methyl]-3-cyclopropylpyridin-2-one
CID 171090684
4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine
CID 177306498
6-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-4-N-(1,3-benzothiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 171090245
1-[[4-[[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 171090161
3-[2-[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-2,2-dimethylpropanoic acid
CID 171090507
1-[[4-[[2-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]phenyl]methyl]pyridin-2-one
CID 171090667
5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
CID 171090125
4-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]-6-[(6-ethylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylic acid;molecular hydrogen
CID 171089889
ethane;ethyl N-[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]carbamate
CID 171090590

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine (CID 171089657) is 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine is Cc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2ccc3ncccc3c2)ncn1.
What is the InChIKey of 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is CDBDJEILYNYQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-16-10-21-20(7-9-29-26(21)27)17(2)22(16)13-30-24-12-25(32-15-31-24)33-14-18-5-6-23-19(11-18)4-3-8-28-23/h3-12,15H,13-14H2,1-2H3,(H2,27,29)(H,30,31,32).
What are the key properties of 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine?
5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 436.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 171089657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).