4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine

C13H13N5 — CID 104504831

IUPAC4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2cncc3ccccc23)c(N)n1N
InChIInChI=1S/C13H13N5/c1-8-17-12(13(14)18(8)15)11-7-16-6-9-4-2-3-5-10(9)11/h2-7H,14-15H2,1H3
InChIKeyCAQXRAPZORJDPD-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.70
Rot. Bonds1

About 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine

4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine (PubChem CID 104504831) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
PubChem CID104504831
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2cncc3ccccc23)c(N)n1N
InChIInChI=1S/C13H13N5/c1-8-17-12(13(14)18(8)15)11-7-16-6-9-4-2-3-5-10(9)11/h2-7H,14-15H2,1H3
InChIKeyCAQXRAPZORJDPD-UHFFFAOYSA-N
XLogP1.70
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
2-cyclopropyl-4-isoquinolin-4-ylimidazole-1,5-diamine
CID 104504833
2-isoquinolin-4-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104505099
5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine
CID 104504799
2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
CID 107936690
3-isoquinolin-4-ylaniline
CID 22724137
2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine
CID 62483406
5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
CID 166661287
5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine
CID 104504813
5-bromo-2-isoquinolin-4-yl-6-methylpyrimidin-4-amine
CID 104504891
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
CID 106518049
4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine
CID 63632217

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine?
The IUPAC name of 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine (CID 104504831) is 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine.
What is the SMILES notation for 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine?
The canonical SMILES for 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine is Cc1nc(-c2cncc3ccccc23)c(N)n1N.
What is the InChIKey of 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine?
The InChIKey is CAQXRAPZORJDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-17-12(13(14)18(8)15)11-7-16-6-9-4-2-3-5-10(9)11/h2-7H,14-15H2,1H3.
What are the key properties of 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine?
4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine is sourced from PubChem (CID 104504831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).