5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine

C13H9ClN4 — CID 114049699

IUPAC5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine
SMILESNc1ncnc(-c2cccc3ccncc23)c1Cl
InChIInChI=1S/C13H9ClN4/c14-11-12(17-7-18-13(11)15)9-3-1-2-8-4-5-16-6-10(8)9/h1-7H,(H2,15,17,18)
InChIKeyHKTBMEIGYZDANB-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.93
Rot. Bonds1

About 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine

5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine (PubChem CID 114049699) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine
PubChem CID114049699
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine
SMILESNc1ncnc(-c2cccc3ccncc23)c1Cl
InChIInChI=1S/C13H9ClN4/c14-11-12(17-7-18-13(11)15)9-3-1-2-8-4-5-16-6-10(8)9/h1-7H,(H2,15,17,18)
InChIKeyHKTBMEIGYZDANB-UHFFFAOYSA-N
XLogP2.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
CID 103144312
2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327
6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144328
8-bromo-1-isoquinolin-8-ylisoquinoline
CID 67483045
N-ethyl-3-isoquinolin-8-ylpyrazin-2-amine
CID 103144319
5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine
CID 103144237
8-(1H-pyrrol-3-yl)isoquinoline
CID 58813488
8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 147064313
S-isoquinolin-8-ylthiohydroxylamine
CID 145138115
4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
CID 103144263
8-phenanthren-9-ylisoquinoline
CID 171383107
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
CID 103144332

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine (CID 114049699) is 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine is Nc1ncnc(-c2cccc3ccncc23)c1Cl.
What is the InChIKey of 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine?
The InChIKey is HKTBMEIGYZDANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-11-12(17-7-18-13(11)15)9-3-1-2-8-4-5-16-6-10(8)9/h1-7H,(H2,15,17,18).
What are the key properties of 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine?
5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine has a molecular weight of 256.70 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine is sourced from PubChem (CID 114049699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).