N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine

C15H14BrClN5OP — CID 178129555

IUPACN-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine
SMILESCc1cnc2c(P(C)(C)=O)c(Nc3nc(Cl)ncc3Br)ccc2n1
InChIInChI=1S/C15H14BrClN5OP/c1-8-6-18-12-10(20-8)4-5-11(13(12)24(2,3)23)21-14-9(16)7-19-15(17)22-14/h4-7H,1-3H3,(H,19,21,22)
InChIKeyWDPPOPKRQLFKRZ-UHFFFAOYSA-N
MW426.64 g/mol
LogP4.14
Rot. Bonds3

About N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine

N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine (PubChem CID 178129555) has the molecular formula C15H14BrClN5OP and a molecular weight of 426.64 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine
PubChem CID178129555
Molecular FormulaC15H14BrClN5OP
Molecular Weight426.64 g/mol
Exact Mass424.98
IUPAC NameN-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine
SMILESCc1cnc2c(P(C)(C)=O)c(Nc3nc(Cl)ncc3Br)ccc2n1
InChIInChI=1S/C15H14BrClN5OP/c1-8-6-18-12-10(20-8)4-5-11(13(12)24(2,3)23)21-14-9(16)7-19-15(17)22-14/h4-7H,1-3H3,(H,19,21,22)
InChIKeyWDPPOPKRQLFKRZ-UHFFFAOYSA-N
XLogP4.14
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-5-methylphosphanylquinolin-6-amine
CID 163980188
N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine
CID 167231486
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine
CID 175784370
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline
CID 167542224
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
6-N-(5-bromo-2-chloropyrimidin-4-yl)-5-N-methylsulfanylquinoxaline-5,6-diamine;methane
CID 165394607
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-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[5-ethyl-2-methoxy-4-(methylamino)phenyl]pyrimidine-2,4-diamine
CID 155427127

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine?
The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine (CID 178129555) is N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine.
What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine?
The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine is Cc1cnc2c(P(C)(C)=O)c(Nc3nc(Cl)ncc3Br)ccc2n1.
What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine?
The InChIKey is WDPPOPKRQLFKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN5OP/c1-8-6-18-12-10(20-8)4-5-11(13(12)24(2,3)23)21-14-9(16)7-19-15(17)22-14/h4-7H,1-3H3,(H,19,21,22).
What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine?
N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine has a molecular weight of 426.64 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine is sourced from PubChem (CID 178129555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).