N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine

C17H16BrClN5OP — CID 167231486

IUPACN-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine
SMILESCP(C)(=O)c1c(Nc2nc(Cl)ncc2Br)cnc2nc(C3CC3)ccc12
InChIInChI=1S/C17H16BrClN5OP/c1-26(2,25)14-10-5-6-12(9-3-4-9)22-15(10)20-8-13(14)23-16-11(18)7-21-17(19)24-16/h5-9H,3-4H2,1-2H3,(H,21,23,24)
InChIKeyMXNPGJKEEORRFM-UHFFFAOYSA-N
MW452.68 g/mol
LogP4.70
Rot. Bonds4

About N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine

N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine (PubChem CID 167231486) has the molecular formula C17H16BrClN5OP and a molecular weight of 452.68 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine
PubChem CID167231486
Molecular FormulaC17H16BrClN5OP
Molecular Weight452.68 g/mol
Exact Mass451.00
IUPAC NameN-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine
SMILESCP(C)(=O)c1c(Nc2nc(Cl)ncc2Br)cnc2nc(C3CC3)ccc12
InChIInChI=1S/C17H16BrClN5OP/c1-26(2,25)14-10-5-6-12(9-3-4-9)22-15(10)20-8-13(14)23-16-11(18)7-21-17(19)24-16/h5-9H,3-4H2,1-2H3,(H,21,23,24)
InChIKeyMXNPGJKEEORRFM-UHFFFAOYSA-N
XLogP4.70
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.68
LogP ≤ 54.70
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)-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
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
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)-2-methyl-5-methylphosphanylquinolin-6-amine
CID 163980188
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine
CID 146013513
N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
CID 171618349
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine?
The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine (CID 167231486) is N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine.
What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine?
The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine is CP(C)(=O)c1c(Nc2nc(Cl)ncc2Br)cnc2nc(C3CC3)ccc12.
What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine?
The InChIKey is MXNPGJKEEORRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN5OP/c1-26(2,25)14-10-5-6-12(9-3-4-9)22-15(10)20-8-13(14)23-16-11(18)7-21-17(19)24-16/h5-9H,3-4H2,1-2H3,(H,21,23,24).
What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine?
N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine has a molecular weight of 452.68 g/mol, XLogP of 4.70, 4 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)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine is sourced from PubChem (CID 167231486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).