4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine

C21H17BrN4O2 — CID 19152831

IUPAC4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Oc3ccc(Br)c4cccnc34)c2N)cc1C
InChIInChI=1S/C21H17BrN4O2/c1-12-5-6-14(10-13(12)2)27-20-18(23)21(26-11-25-20)28-17-8-7-16(22)15-4-3-9-24-19(15)17/h3-11H,23H2,1-2H3
InChIKeyLOUVHOCIUKZIJF-UHFFFAOYSA-N
MW437.30 g/mol
LogP5.57
Rot. Bonds4

About 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine

4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine (PubChem CID 19152831) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
PubChem CID19152831
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC Name4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Oc3ccc(Br)c4cccnc34)c2N)cc1C
InChIInChI=1S/C21H17BrN4O2/c1-12-5-6-14(10-13(12)2)27-20-18(23)21(26-11-25-20)28-17-8-7-16(22)15-4-3-9-24-19(15)17/h3-11H,23H2,1-2H3
InChIKeyLOUVHOCIUKZIJF-UHFFFAOYSA-N
XLogP5.57
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.30
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144661
6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137011
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141838
6-(5-bromoquinolin-8-yl)oxy-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22545032
4-(3,4-dimethylphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154336
5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline
CID 22537587
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 19152823
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
methyl 4-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]oxybenzoate
CID 22544861

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine (CID 19152831) is 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine is Cc1ccc(Oc2ncnc(Oc3ccc(Br)c4cccnc34)c2N)cc1C.
What is the InChIKey of 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The InChIKey is LOUVHOCIUKZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c1-12-5-6-14(10-13(12)2)27-20-18(23)21(26-11-25-20)28-17-8-7-16(22)15-4-3-9-24-19(15)17/h3-11H,23H2,1-2H3.
What are the key properties of 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine has a molecular weight of 437.30 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19152831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).