5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine

C14H14N4 — CID 104504804

IUPAC5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
SMILESCc1nc(-c2cncc3ccccc23)c(N)n1C
InChIInChI=1S/C14H14N4/c1-9-17-13(14(15)18(9)2)12-8-16-7-10-5-3-4-6-11(10)12/h3-8H,15H2,1-2H3
InChIKeyNKSAPBZGJKPLPA-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.53
Rot. Bonds1

About 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine

5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine (PubChem CID 104504804) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine.

Molecular Properties

Compound Name5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
PubChem CID104504804
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
SMILESCc1nc(-c2cncc3ccccc23)c(N)n1C
InChIInChI=1S/C14H14N4/c1-9-17-13(14(15)18(9)2)12-8-16-7-10-5-3-4-6-11(10)12/h3-8H,15H2,1-2H3
InChIKeyNKSAPBZGJKPLPA-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
CID 104504831
2-isoquinolin-4-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104505099
2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946
5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine
CID 104504799
2-cyclopropyl-4-isoquinolin-4-ylimidazole-1,5-diamine
CID 104504833
3-isoquinolin-4-ylaniline
CID 22724137
5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62226698
5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
CID 166661287
5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine
CID 104504813
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
CID 106518049
5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine
CID 104504891
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine?
The IUPAC name of 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine (CID 104504804) is 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine.
What is the SMILES notation for 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine?
The canonical SMILES for 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine is Cc1nc(-c2cncc3ccccc23)c(N)n1C.
What is the InChIKey of 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine?
The InChIKey is NKSAPBZGJKPLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-17-13(14(15)18(9)2)12-8-16-7-10-5-3-4-6-11(10)12/h3-8H,15H2,1-2H3.
What are the key properties of 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine?
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine is sourced from PubChem (CID 104504804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).