N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine

C14H13BrN5OP — CID 175784370

IUPACN-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine
SMILES[2H]c1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
InChIInChI=1S/C14H13BrN5OP/c1-22(2,21)13-11(20-14-9(15)7-16-8-19-14)4-3-10-12(13)18-6-5-17-10/h3-8H,1-2H3,(H,16,19,20)/i8D
InChIKeyLQBHMZAIKJLQLB-BNEYPBHNSA-N
MW379.18 g/mol
LogP3.17
Rot. Bonds3

About N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine

N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine (PubChem CID 175784370) has the molecular formula C14H13BrN5OP and a molecular weight of 379.18 g/mol. Its IUPAC name is N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine.

Molecular Properties

Compound NameN-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine
PubChem CID175784370
Molecular FormulaC14H13BrN5OP
Molecular Weight379.18 g/mol
Exact Mass378.01
IUPAC NameN-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine
SMILES[2H]c1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
InChIInChI=1S/C14H13BrN5OP/c1-22(2,21)13-11(20-14-9(15)7-16-8-19-14)4-3-10-12(13)18-6-5-17-10/h3-8H,1-2H3,(H,16,19,20)/i8D
InChIKeyLQBHMZAIKJLQLB-BNEYPBHNSA-N
XLogP3.17
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 53.17
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-[[5-bromo-4-[(5-dimethylphosphorylquinoxalin-6-yl)amino]pyrimidin-2-yl]amino]-2-(butylamino)phenyl]prop-2-enamide
CID 155183914
5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[5-ethyl-2-methoxy-4-(methylamino)phenyl]pyrimidine-2,4-diamine
CID 155427127
N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphoryl-2-methylquinoxalin-6-amine
CID 178129555
5-bromo-2-N-[(6S)-6-(dimethylamino)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl]-4-N-(5-dimethylphosphorylquinoxalin-6-yl)pyrimidine-2,4-diamine
CID 155743431
5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 146624195
5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[3-methoxy-6-methyl-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazin-2-yl]pyrimidine-2,4-diamine
CID 155240207
5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[6-methoxy-1-(1-methylazetidin-3-yl)-2,3-dihydroindol-5-yl]pyrimidine-2,4-diamine
CID 155427219
13-[[5-bromo-4-[(5-dimethylphosphorylquinoxalin-6-yl)amino]pyrimidin-2-yl]amino]-12-methoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-9-one
CID 168806527
5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[5-ethyl-2-fluoro-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine
CID 155240830
5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-(8-methoxy-3-methyl-4,5-dihydro-[1]benzoxepino[5,4-d]pyrazol-9-yl)pyrimidine-2,4-diamine
CID 168806398
5-bromo-2-N-[4-(dimethylamino)-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-4-N-(5-dimethylphosphorylquinoxalin-6-yl)pyrimidine-2,4-diamine
CID 168838634
5-bromo-2-N-[2,5-dimethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-4-N-(5-dimethylphosphorylquinoxalin-6-yl)pyrimidine-2,4-diamine
CID 155239958

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine?
The IUPAC name of N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine (CID 175784370) is N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine.
What is the SMILES notation for N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine?
The canonical SMILES for N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine is [2H]c1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1.
What is the InChIKey of N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine?
The InChIKey is LQBHMZAIKJLQLB-BNEYPBHNSA-N. The full InChI is InChI=1S/C14H13BrN5OP/c1-22(2,21)13-11(20-14-9(15)7-16-8-19-14)4-3-10-12(13)18-6-5-17-10/h3-8H,1-2H3,(H,16,19,20)/i8D.
What are the key properties of N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine?
N-(5-bromo-2-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine has a molecular weight of 379.18 g/mol, XLogP of 3.17, 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-deuteriopyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine is sourced from PubChem (CID 175784370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).