8-N-pyrimidin-2-ylquinoline-2,8-diamine

C13H11N5 — CID 20690188

IUPAC8-N-pyrimidin-2-ylquinoline-2,8-diamine
SMILESNc1ccc2cccc(Nc3ncccn3)c2n1
InChIInChI=1S/C13H11N5/c14-11-6-5-9-3-1-4-10(12(9)18-11)17-13-15-7-2-8-16-13/h1-8H,(H2,14,18)(H,15,16,17)
InChIKeyHKWYQWIBPAFXEK-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.35
Rot. Bonds2

About 8-N-pyrimidin-2-ylquinoline-2,8-diamine

8-N-pyrimidin-2-ylquinoline-2,8-diamine (PubChem CID 20690188) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 8-N-pyrimidin-2-ylquinoline-2,8-diamine.

Molecular Properties

Compound Name8-N-pyrimidin-2-ylquinoline-2,8-diamine
PubChem CID20690188
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name8-N-pyrimidin-2-ylquinoline-2,8-diamine
SMILESNc1ccc2cccc(Nc3ncccn3)c2n1
InChIInChI=1S/C13H11N5/c14-11-6-5-9-3-1-4-10(12(9)18-11)17-13-15-7-2-8-16-13/h1-8H,(H2,14,18)(H,15,16,17)
InChIKeyHKWYQWIBPAFXEK-UHFFFAOYSA-N
XLogP2.35
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-pyrimidin-2-ylquinoline-2,8-diamine?
The IUPAC name of 8-N-pyrimidin-2-ylquinoline-2,8-diamine (CID 20690188) is 8-N-pyrimidin-2-ylquinoline-2,8-diamine.
What is the SMILES notation for 8-N-pyrimidin-2-ylquinoline-2,8-diamine?
The canonical SMILES for 8-N-pyrimidin-2-ylquinoline-2,8-diamine is Nc1ccc2cccc(Nc3ncccn3)c2n1.
What is the InChIKey of 8-N-pyrimidin-2-ylquinoline-2,8-diamine?
The InChIKey is HKWYQWIBPAFXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-11-6-5-9-3-1-4-10(12(9)18-11)17-13-15-7-2-8-16-13/h1-8H,(H2,14,18)(H,15,16,17).
What are the key properties of 8-N-pyrimidin-2-ylquinoline-2,8-diamine?
8-N-pyrimidin-2-ylquinoline-2,8-diamine has a molecular weight of 237.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-pyrimidin-2-ylquinoline-2,8-diamine is sourced from PubChem (CID 20690188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).