N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine

C23H16N4 — CID 69205352

IUPACN-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine
SMILESc1cc(Nc2nccc(-c3cccc4ccccc34)n2)c2ccncc2c1
InChIInChI=1S/C23H16N4/c1-2-8-18-16(5-1)6-3-9-20(18)22-12-14-25-23(27-22)26-21-10-4-7-17-15-24-13-11-19(17)21/h1-15H,(H,25,26,27)
InChIKeyZYPSZRNIICXZBV-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.59
Rot. Bonds3

About N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine

N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine (PubChem CID 69205352) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine
PubChem CID69205352
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC NameN-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine
SMILESc1cc(Nc2nccc(-c3cccc4ccccc34)n2)c2ccncc2c1
InChIInChI=1S/C23H16N4/c1-2-8-18-16(5-1)6-3-9-20(18)22-12-14-25-23(27-22)26-21-10-4-7-17-15-24-13-11-19(17)21/h1-15H,(H,25,26,27)
InChIKeyZYPSZRNIICXZBV-UHFFFAOYSA-N
XLogP5.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine?
The IUPAC name of N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine (CID 69205352) is N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine?
The canonical SMILES for N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine is c1cc(Nc2nccc(-c3cccc4ccccc34)n2)c2ccncc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine?
The InChIKey is ZYPSZRNIICXZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c1-2-8-18-16(5-1)6-3-9-20(18)22-12-14-25-23(27-22)26-21-10-4-7-17-15-24-13-11-19(17)21/h1-15H,(H,25,26,27).
What are the key properties of N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine?
N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine has a molecular weight of 348.41 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine is sourced from PubChem (CID 69205352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).