5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine

C15H11Br2N3O — CID 80865391

IUPAC5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C15H11Br2N3O/c1-18-15-19-8-13(17)14(20-15)21-12-5-3-9-6-11(16)4-2-10(9)7-12/h2-8H,1H3,(H,18,19,20)
InChIKeyWSLSNSNBNJNJMG-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine

5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine (PubChem CID 80865391) has the molecular formula C15H11Br2N3O and a molecular weight of 409.08 g/mol. Its IUPAC name is 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
PubChem CID80865391
Molecular FormulaC15H11Br2N3O
Molecular Weight409.08 g/mol
Exact Mass406.93
IUPAC Name5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C15H11Br2N3O/c1-18-15-19-8-13(17)14(20-15)21-12-5-3-9-6-11(16)4-2-10(9)7-12/h2-8H,1H3,(H,18,19,20)
InChIKeyWSLSNSNBNJNJMG-UHFFFAOYSA-N
XLogP4.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80873844
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
CID 79076852
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103
4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
CID 80865760
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
7-bromo-N-methylquinazolin-2-amine
CID 118107797
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine (CID 80865391) is 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Oc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
The InChIKey is WSLSNSNBNJNJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O/c1-18-15-19-8-13(17)14(20-15)21-12-5-3-9-6-11(16)4-2-10(9)7-12/h2-8H,1H3,(H,18,19,20).
What are the key properties of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine has a molecular weight of 409.08 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80865391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).