2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine

C17H18N4 — CID 63950493

IUPAC2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine
SMILESCc1nc(-c2nccc3ccccc23)nc(C)c1CCN
InChIInChI=1S/C17H18N4/c1-11-14(7-9-18)12(2)21-17(20-11)16-15-6-4-3-5-13(15)8-10-19-16/h3-6,8,10H,7,9,18H2,1-2H3
InChIKeyUCMAEVRCINYFEI-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.81
Rot. Bonds3

About 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine

2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine (PubChem CID 63950493) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine
PubChem CID63950493
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine
SMILESCc1nc(-c2nccc3ccccc23)nc(C)c1CCN
InChIInChI=1S/C17H18N4/c1-11-14(7-9-18)12(2)21-17(20-11)16-15-6-4-3-5-13(15)8-10-19-16/h3-6,8,10H,7,9,18H2,1-2H3
InChIKeyUCMAEVRCINYFEI-UHFFFAOYSA-N
XLogP2.81
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine (CID 63950493) is 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine is Cc1nc(-c2nccc3ccccc23)nc(C)c1CCN.
What is the InChIKey of 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine?
The InChIKey is UCMAEVRCINYFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-14(7-9-18)12(2)21-17(20-11)16-15-6-4-3-5-13(15)8-10-19-16/h3-6,8,10H,7,9,18H2,1-2H3.
What are the key properties of 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine?
2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 63950493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).