5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine

C15H11Br2N3O — CID 80866651

IUPAC5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C15H11Br2N3O/c1-18-15-19-8-11(16)14(20-15)21-12-7-6-9-4-2-3-5-10(9)13(12)17/h2-8H,1H3,(H,18,19,20)
InChIKeyXEBYNXYDPNJEPO-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine

5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine (PubChem CID 80866651) has the molecular formula C15H11Br2N3O and a molecular weight of 409.08 g/mol. Its IUPAC name is 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
PubChem CID80866651
Molecular FormulaC15H11Br2N3O
Molecular Weight409.08 g/mol
Exact Mass406.93
IUPAC Name5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C15H11Br2N3O/c1-18-15-19-8-11(16)14(20-15)21-12-7-6-9-4-2-3-5-10(9)13(12)17/h2-8H,1H3,(H,18,19,20)
InChIKeyXEBYNXYDPNJEPO-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

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Related Compounds

4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80867027
5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
CID 80862412
5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
CID 80866833
5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
CID 80637587
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63735544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine (CID 80866651) is 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Oc2ccc3ccccc3c2Br)n1.
What is the InChIKey of 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
The InChIKey is XEBYNXYDPNJEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O/c1-18-15-19-8-11(16)14(20-15)21-12-7-6-9-4-2-3-5-10(9)13(12)17/h2-8H,1H3,(H,18,19,20).
What are the key properties of 5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine?
5-bromo-4-(1-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-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80866651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).