4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine

C13H13N5 — CID 55011951

IUPAC4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cccc3cnccc23)c(N)[nH]1
InChIInChI=1S/C13H13N5/c1-8-16-12(14)13(17-8)18-11-4-2-3-9-7-15-6-5-10(9)11/h2-7,18H,14H2,1H3,(H,16,17)
InChIKeyDTUUNEBAFYCBCJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds2

About 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine

4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 55011951) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
PubChem CID55011951
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cccc3cnccc23)c(N)[nH]1
InChIInChI=1S/C13H13N5/c1-8-16-12(14)13(17-8)18-11-4-2-3-9-7-15-6-5-10(9)11/h2-7,18H,14H2,1H3,(H,16,17)
InChIKeyDTUUNEBAFYCBCJ-UHFFFAOYSA-N
XLogP2.59
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-N-naphthalen-1-yl-1H-imidazole-4,5-diamine
CID 55012377
4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
CID 80789594
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
CID 103078111
5-fluoro-4-N-isoquinolin-5-ylpyrimidine-2,4-diamine
CID 80789073
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80789872
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
ethane;isoquinolin-5-amine
CID 143675367
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400
2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
CID 115001280
4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588

Frequently Asked Questions

What is the IUPAC name of 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine (CID 55011951) is 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine is Cc1nc(Nc2cccc3cnccc23)c(N)[nH]1.
What is the InChIKey of 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is DTUUNEBAFYCBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-16-12(14)13(17-8)18-11-4-2-3-9-7-15-6-5-10(9)11/h2-7,18H,14H2,1H3,(H,16,17).
What are the key properties of 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine?
4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55011951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).