5-pyrimidin-5-ylisoquinoline

C13H9N3 — CID 141337488

IUPAC5-pyrimidin-5-ylisoquinoline
SMILESc1cc(-c2cncnc2)c2ccncc2c1
InChIInChI=1S/C13H9N3/c1-2-10-6-14-5-4-13(10)12(3-1)11-7-15-9-16-8-11/h1-9H
InChIKeyHGKJNWMQWIEFEE-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.69
Rot. Bonds1

About 5-pyrimidin-5-ylisoquinoline

5-pyrimidin-5-ylisoquinoline (PubChem CID 141337488) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-pyrimidin-5-ylisoquinoline.

Molecular Properties

Compound Name5-pyrimidin-5-ylisoquinoline
PubChem CID141337488
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name5-pyrimidin-5-ylisoquinoline
SMILESc1cc(-c2cncnc2)c2ccncc2c1
InChIInChI=1S/C13H9N3/c1-2-10-6-14-5-4-13(10)12(3-1)11-7-15-9-16-8-11/h1-9H
InChIKeyHGKJNWMQWIEFEE-UHFFFAOYSA-N
XLogP2.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
5-(3-chlorophenyl)isoquinoline
CID 23602252
5-(furan-3-yl)isoquinoline
CID 102045200
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
CID 144553782
2-isoquinolin-5-ylaniline
CID 62812627
3-isoquinolin-5-ylbenzaldehyde
CID 62812454
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122416201
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine
CID 11523202
3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol
CID 50942608

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-ylisoquinoline?
The IUPAC name of 5-pyrimidin-5-ylisoquinoline (CID 141337488) is 5-pyrimidin-5-ylisoquinoline.
What is the SMILES notation for 5-pyrimidin-5-ylisoquinoline?
The canonical SMILES for 5-pyrimidin-5-ylisoquinoline is c1cc(-c2cncnc2)c2ccncc2c1.
What is the InChIKey of 5-pyrimidin-5-ylisoquinoline?
The InChIKey is HGKJNWMQWIEFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-2-10-6-14-5-4-13(10)12(3-1)11-7-15-9-16-8-11/h1-9H.
What are the key properties of 5-pyrimidin-5-ylisoquinoline?
5-pyrimidin-5-ylisoquinoline has a molecular weight of 207.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-ylisoquinoline is sourced from PubChem (CID 141337488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).