8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine

C17H11Cl3N6O — CID 157201001

IUPAC8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine
SMILESClc1cc(Cl)ncn1.Nc1ccc2cccc(Oc3cc(Cl)ncn3)c2n1
InChIInChI=1S/C13H9ClN4O.C4H2Cl2N2/c14-10-6-12(17-7-16-10)19-9-3-1-2-8-4-5-11(15)18-13(8)9;5-3-1-4(6)8-2-7-3/h1-7H,(H2,15,18);1-2H
InChIKeyAQUHOGUVMQUSTJ-UHFFFAOYSA-N
MW421.68 g/mol
LogP4.84
Rot. Bonds2

About 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine

8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine (PubChem CID 157201001) has the molecular formula C17H11Cl3N6O and a molecular weight of 421.68 g/mol. Its IUPAC name is 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine.

Molecular Properties

Compound Name8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine
PubChem CID157201001
Molecular FormulaC17H11Cl3N6O
Molecular Weight421.68 g/mol
Exact Mass420.01
IUPAC Name8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine
SMILESClc1cc(Cl)ncn1.Nc1ccc2cccc(Oc3cc(Cl)ncn3)c2n1
InChIInChI=1S/C13H9ClN4O.C4H2Cl2N2/c14-10-6-12(17-7-16-10)19-9-3-1-2-8-4-5-11(15)18-13(8)9;5-3-1-4(6)8-2-7-3/h1-7H,(H2,15,18);1-2H
InChIKeyAQUHOGUVMQUSTJ-UHFFFAOYSA-N
XLogP4.84
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.68
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine?
The IUPAC name of 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine (CID 157201001) is 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine.
What is the SMILES notation for 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine?
The canonical SMILES for 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine is Clc1cc(Cl)ncn1.Nc1ccc2cccc(Oc3cc(Cl)ncn3)c2n1.
What is the InChIKey of 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine?
The InChIKey is AQUHOGUVMQUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O.C4H2Cl2N2/c14-10-6-12(17-7-16-10)19-9-3-1-2-8-4-5-11(15)18-13(8)9;5-3-1-4(6)8-2-7-3/h1-7H,(H2,15,18);1-2H.
What are the key properties of 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine?
8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine has a molecular weight of 421.68 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloropyrimidin-4-yl)oxyquinolin-2-amine;4,6-dichloropyrimidine is sourced from PubChem (CID 157201001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).