3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine

C20H17N5 — CID 175711124

IUPAC3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine
SMILESCCc1cc(-c2cccc3ccc(-c4cncnc4)nc23)cnc1N
InChIInChI=1S/C20H17N5/c1-2-13-8-15(11-24-20(13)21)17-5-3-4-14-6-7-18(25-19(14)17)16-9-22-12-23-10-16/h3-12H,2H2,1H3,(H2,21,24)
InChIKeyHTICZPJOVZLZAM-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.90
Rot. Bonds3

About 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine

3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine (PubChem CID 175711124) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine
PubChem CID175711124
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine
SMILESCCc1cc(-c2cccc3ccc(-c4cncnc4)nc23)cnc1N
InChIInChI=1S/C20H17N5/c1-2-13-8-15(11-24-20(13)21)17-5-3-4-14-6-7-18(25-19(14)17)16-9-22-12-23-10-16/h3-12H,2H2,1H3,(H2,21,24)
InChIKeyHTICZPJOVZLZAM-UHFFFAOYSA-N
XLogP3.90
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine?
The IUPAC name of 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine (CID 175711124) is 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine.
What is the SMILES notation for 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine?
The canonical SMILES for 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine is CCc1cc(-c2cccc3ccc(-c4cncnc4)nc23)cnc1N.
What is the InChIKey of 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine?
The InChIKey is HTICZPJOVZLZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-13-8-15(11-24-20(13)21)17-5-3-4-14-6-7-18(25-19(14)17)16-9-22-12-23-10-16/h3-12H,2H2,1H3,(H2,21,24).
What are the key properties of 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine?
3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine has a molecular weight of 327.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-pyrimidin-5-ylquinolin-8-yl)pyridin-2-amine is sourced from PubChem (CID 175711124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).