5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine

C13H8Cl2N4O — CID 80881381

IUPAC5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H8Cl2N4O/c14-8-3-4-10(11-7(8)2-1-5-17-11)20-12-9(15)6-18-13(16)19-12/h1-6H,(H2,16,18,19)
InChIKeyJDVBWOKYSWQYBP-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.71
Rot. Bonds2

About 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine

5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine (PubChem CID 80881381) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine
PubChem CID80881381
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H8Cl2N4O/c14-8-3-4-10(11-7(8)2-1-5-17-11)20-12-9(15)6-18-13(16)19-12/h1-6H,(H2,16,18,19)
InChIKeyJDVBWOKYSWQYBP-UHFFFAOYSA-N
XLogP3.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(5-chloroquinolin-8-yl)oxypyridine-3-carbonitrile
CID 60923164
5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
CID 80866833
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
CID 12945983
CID 12945983
3-(5-chloroquinolin-8-yl)oxypyridazine-4-carbothioamide
CID 80511484
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
CID 79633476
5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine
CID 80866706
[6-(5-chloroquinolin-8-yl)oxy-2-methylpyrimidin-4-yl]hydrazine
CID 80908989
(5-chloroquinolin-8-yl) methanesulfonate
CID 86302357

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine (CID 80881381) is 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine is Nc1ncc(Cl)c(Oc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine?
The InChIKey is JDVBWOKYSWQYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-8-3-4-10(11-7(8)2-1-5-17-11)20-12-9(15)6-18-13(16)19-12/h1-6H,(H2,16,18,19).
What are the key properties of 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine?
5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine has a molecular weight of 307.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 80881381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).