N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine

C15H13BrClN4P — CID 163980188

IUPACN-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine
SMILESCPc1c(Nc2nc(Cl)ncc2Br)ccc2nc(C)ccc12
InChIInChI=1S/C15H13BrClN4P/c1-8-3-4-9-11(19-8)5-6-12(13(9)22-2)20-14-10(16)7-18-15(17)21-14/h3-7,22H,1-2H3,(H,18,20,21)
InChIKeySXRPXIBVDSIKEU-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.43
Rot. Bonds3

About N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine

N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine (PubChem CID 163980188) has the molecular formula C15H13BrClN4P and a molecular weight of 395.63 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine
PubChem CID163980188
Molecular FormulaC15H13BrClN4P
Molecular Weight395.63 g/mol
Exact Mass393.97
IUPAC NameN-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine
SMILESCPc1c(Nc2nc(Cl)ncc2Br)ccc2nc(C)ccc12
InChIInChI=1S/C15H13BrClN4P/c1-8-3-4-9-11(19-8)5-6-12(13(9)22-2)20-14-10(16)7-18-15(17)21-14/h3-7,22H,1-2H3,(H,18,20,21)
InChIKeySXRPXIBVDSIKEU-UHFFFAOYSA-N
XLogP4.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine
CID 178129555
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
6-N-(5-bromo-2-chloropyrimidin-4-yl)-5-N-methylsulfanylquinoxaline-5,6-diamine;methane
CID 165394607
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
CID 171618349
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 79073311
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
CID 82820362
5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79076572

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine?
The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine (CID 163980188) is N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine.
What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine?
The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine is CPc1c(Nc2nc(Cl)ncc2Br)ccc2nc(C)ccc12.
What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine?
The InChIKey is SXRPXIBVDSIKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN4P/c1-8-3-4-9-11(19-8)5-6-12(13(9)22-2)20-14-10(16)7-18-15(17)21-14/h3-7,22H,1-2H3,(H,18,20,21).
What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine?
N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine has a molecular weight of 395.63 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine is sourced from PubChem (CID 163980188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).