4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine

C15H15N5 — CID 80789872

IUPAC4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cccc3cnccc23)c1C
InChIInChI=1S/C15H15N5/c1-10-14(16-2)18-9-19-15(10)20-13-5-3-4-11-8-17-7-6-12(11)13/h3-9H,1-2H3,(H2,16,18,19,20)
InChIKeyJLDKLYGCIGTMNJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds3

About 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80789872) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80789872
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cccc3cnccc23)c1C
InChIInChI=1S/C15H15N5/c1-10-14(16-2)18-9-19-15(10)20-13-5-3-4-11-8-17-7-6-12(11)13/h3-9H,1-2H3,(H2,16,18,19,20)
InChIKeyJLDKLYGCIGTMNJ-UHFFFAOYSA-N
XLogP3.12
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80789872) is 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(Nc2cccc3cnccc23)c1C.
What is the InChIKey of 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is JLDKLYGCIGTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-14(16-2)18-9-19-15(10)20-13-5-3-4-11-8-17-7-6-12(11)13/h3-9H,1-2H3,(H2,16,18,19,20).
What are the key properties of 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80789872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).