6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine

C19H12BrCl2N5O — CID 22545032

IUPAC6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C19H12BrCl2N5O/c20-14-3-4-15(17-13(14)2-1-5-24-17)28-19-16(23)18(25-9-26-19)27-12-7-10(21)6-11(22)8-12/h1-9H,23H2,(H,25,26,27)
InChIKeyPAKTXDBEWIKTBF-UHFFFAOYSA-N
MW477.15 g/mol
LogP6.21
Rot. Bonds4

About 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine

6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine (PubChem CID 22545032) has the molecular formula C19H12BrCl2N5O and a molecular weight of 477.15 g/mol. Its IUPAC name is 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
PubChem CID22545032
Molecular FormulaC19H12BrCl2N5O
Molecular Weight477.15 g/mol
Exact Mass474.96
IUPAC Name6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1ccc(Br)c2cccnc12
InChIInChI=1S/C19H12BrCl2N5O/c20-14-3-4-15(17-13(14)2-1-5-24-17)28-19-16(23)18(25-9-26-19)27-12-7-10(21)6-11(22)8-12/h1-9H,23H2,(H,25,26,27)
InChIKeyPAKTXDBEWIKTBF-UHFFFAOYSA-N
XLogP6.21
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.15
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144661
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-methylpropyl 4-[[5-amino-6-(5-bromoquinolin-8-yl)oxypyrimidin-4-yl]amino]benzoate
CID 19149539
4-N-(1,3-benzothiazol-2-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19146006
6-(5-bromoquinolin-8-yl)oxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137011
4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19152831
4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543583
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22545033
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine (CID 22545032) is 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine is Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1ccc(Br)c2cccnc12.
What is the InChIKey of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine?
The InChIKey is PAKTXDBEWIKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrCl2N5O/c20-14-3-4-15(17-13(14)2-1-5-24-17)28-19-16(23)18(25-9-26-19)27-12-7-10(21)6-11(22)8-12/h1-9H,23H2,(H,25,26,27).
What are the key properties of 6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine?
6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine has a molecular weight of 477.15 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 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-(3,5-dichlorophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22545032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).