4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine

C20H17N5O — CID 74239449

IUPAC4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NCCOc3cccc4cccnc34)n2)nc1
InChIInChI=1S/C20H17N5O/c1-2-10-21-16(7-1)17-9-12-23-20(25-17)24-13-14-26-18-8-3-5-15-6-4-11-22-19(15)18/h1-12H,13-14H2,(H,23,24,25)
InChIKeyJODSZNOLZDETRU-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.58
Rot. Bonds6

About 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine

4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine (PubChem CID 74239449) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
PubChem CID74239449
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NCCOc3cccc4cccnc34)n2)nc1
InChIInChI=1S/C20H17N5O/c1-2-10-21-16(7-1)17-9-12-23-20(25-17)24-13-14-26-18-8-3-5-15-6-4-11-22-19(15)18/h1-12H,13-14H2,(H,23,24,25)
InChIKeyJODSZNOLZDETRU-UHFFFAOYSA-N
XLogP3.58
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine (CID 74239449) is 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine is c1ccc(-c2ccnc(NCCOc3cccc4cccnc34)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The InChIKey is JODSZNOLZDETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-10-21-16(7-1)17-9-12-23-20(25-17)24-13-14-26-18-8-3-5-15-6-4-11-22-19(15)18/h1-12H,13-14H2,(H,23,24,25).
What are the key properties of 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 74239449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).