7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine

C20H17N5 — CID 44527450

IUPAC7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(-c2cnc(N)c3cc(-c4ccnc(N)n4)ccc23)cc1
InChIInChI=1S/C20H17N5/c1-12-2-4-13(5-3-12)17-11-24-19(21)16-10-14(6-7-15(16)17)18-8-9-23-20(22)25-18/h2-11H,1H3,(H2,21,24)(H2,22,23,25)
InChIKeyWUKODKXSUVDYIX-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.83
Rot. Bonds2

About 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine

7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine (PubChem CID 44527450) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine
PubChem CID44527450
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(-c2cnc(N)c3cc(-c4ccnc(N)n4)ccc23)cc1
InChIInChI=1S/C20H17N5/c1-12-2-4-13(5-3-12)17-11-24-19(21)16-10-14(6-7-15(16)17)18-8-9-23-20(22)25-18/h2-11H,1H3,(H2,21,24)(H2,22,23,25)
InChIKeyWUKODKXSUVDYIX-UHFFFAOYSA-N
XLogP3.83
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine?
The IUPAC name of 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine (CID 44527450) is 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine is Cc1ccc(-c2cnc(N)c3cc(-c4ccnc(N)n4)ccc23)cc1.
What is the InChIKey of 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine?
The InChIKey is WUKODKXSUVDYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-12-2-4-13(5-3-12)17-11-24-19(21)16-10-14(6-7-15(16)17)18-8-9-23-20(22)25-18/h2-11H,1H3,(H2,21,24)(H2,22,23,25).
What are the key properties of 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine?
7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine has a molecular weight of 327.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 44527450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).