6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine

C15H14BrN5O — CID 19137011

IUPAC6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(Oc2ccc(Br)c3cccnc23)c1N
InChIInChI=1S/C15H14BrN5O/c1-21(2)14-12(17)15(20-8-19-14)22-11-6-5-10(16)9-4-3-7-18-13(9)11/h3-8H,17H2,1-2H3
InChIKeyIIWKZVJXFJLDQC-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.23
Rot. Bonds3

About 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine

6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine (PubChem CID 19137011) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
PubChem CID19137011
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(Oc2ccc(Br)c3cccnc23)c1N
InChIInChI=1S/C15H14BrN5O/c1-21(2)14-12(17)15(20-8-19-14)22-11-6-5-10(16)9-4-3-7-18-13(9)11/h3-8H,17H2,1-2H3
InChIKeyIIWKZVJXFJLDQC-UHFFFAOYSA-N
XLogP3.23
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19152831
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-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22545032
5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline
CID 22537587
6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 19152823
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
4-N-(1,3-benzothiazol-2-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19146006
5-bromo-8-ethoxyquinoline
CID 100612531
4-(4-benzylpiperidin-1-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidin-5-amine
CID 19139513
2-methylpropyl 4-[[5-amino-6-(5-bromoquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19149539
3-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 23493549

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine (CID 19137011) is 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine is CN(C)c1ncnc(Oc2ccc(Br)c3cccnc23)c1N.
What is the InChIKey of 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The InChIKey is IIWKZVJXFJLDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-21(2)14-12(17)15(20-8-19-14)22-11-6-5-10(16)9-4-3-7-18-13(9)11/h3-8H,17H2,1-2H3.
What are the key properties of 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine has a molecular weight of 360.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).