5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine

C13H9ClN4 — CID 166661287

IUPAC5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
SMILESNc1ncc(Cl)c(-c2cncc3ccccc23)n1
InChIInChI=1S/C13H9ClN4/c14-11-7-17-13(15)18-12(11)10-6-16-5-8-3-1-2-4-9(8)10/h1-7H,(H2,15,17,18)
InChIKeyGLIITKSAUNSDKC-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.93
Rot. Bonds1

About 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine

5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine (PubChem CID 166661287) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
PubChem CID166661287
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
SMILESNc1ncc(Cl)c(-c2cncc3ccccc23)n1
InChIInChI=1S/C13H9ClN4/c14-11-7-17-13(15)18-12(11)10-6-16-5-8-3-1-2-4-9(8)10/h1-7H,(H2,15,17,18)
InChIKeyGLIITKSAUNSDKC-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine (CID 166661287) is 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine is Nc1ncc(Cl)c(-c2cncc3ccccc23)n1.
What is the InChIKey of 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine?
The InChIKey is GLIITKSAUNSDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-11-7-17-13(15)18-12(11)10-6-16-5-8-3-1-2-4-9(8)10/h1-7H,(H2,15,17,18).
What are the key properties of 5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine?
5-chloro-4-isoquinolin-4-ylpyrimidin-2-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-4-isoquinolin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 166661287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).