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

C15H11BrFN3O — CID 80867027

IUPAC4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C15H11BrFN3O/c1-18-15-19-8-11(17)14(20-15)21-12-7-6-9-4-2-3-5-10(9)13(12)16/h2-8H,1H3,(H,18,19,20)
InChIKeyNYFBULRLUDNRQE-UHFFFAOYSA-N
MW348.18 g/mol
LogP4.37
Rot. Bonds3

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

4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80867027) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80867027
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC Name4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C15H11BrFN3O/c1-18-15-19-8-11(17)14(20-15)21-12-7-6-9-4-2-3-5-10(9)13(12)16/h2-8H,1H3,(H,18,19,20)
InChIKeyNYFBULRLUDNRQE-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine (CID 80867027) is 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Oc2ccc3ccccc3c2Br)n1.
What is the InChIKey of 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is NYFBULRLUDNRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-18-15-19-8-11(17)14(20-15)21-12-7-6-9-4-2-3-5-10(9)13(12)16/h2-8H,1H3,(H,18,19,20).
What are the key properties of 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine?
4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 348.18 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80867027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).